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Chemical ID: 3968414
Chemical ID:
3968414
Name [?]:
9-[3-(3,5-dimethylpiperazin-1-yl)propyl]carbazole
SMILES [?]:
CC1CN(CC(N1)C)CCCn2c3ccccc3c4c2cccc4
InChi [?]:
InChI=1/C21H27N3/c1-16-14-23(15-17(2)22-16)12-7-13-24-20-10-5-3-8-18(20)19-9-4-6-11-21(19)24/h3-6,8-11,16-17,22H,7,12-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,16,23,15,22,10,17,24,14,21,9,11,3,5,2,6,18,19,13,20,7,4,12/E:(1,2)(3,4)(5,6)(8,9)(10,11)(14,15)(16,17)(18,19)(20,21)/rA:24cCCCNCCNCCCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;s9;s10;s11;s12;s13;d14;s15;d16;d13s17;s18;s12s19;d20;s21;d22;d19s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H27N3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.354 |
Area: | 546.994 |
Solvation: | -2.32085 |
Coulombic: | -21.7884 |
Bond Count [?]
All: | 27 |
Single: | 21 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 321.459 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.37 |
LogP (Chemaxon): | 4.39 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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