Chemical ID: 3968414

CC1CN(CC(N1)C)CCCn2c3ccccc3c4c2cccc4
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

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Descriptor Annotations

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