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Chemical ID: 5531477
Chemical ID:
5531477
Name [?]:
1-cyclopentyl-4-(4-pyridylmethyl)piperazine
SMILES [?]:
c1cnccc1CN2CCN(CC2)C3CCCC3
InChi [?]:
InChI=1/C15H23N3/c1-2-4-15(3-1)18-11-9-17(10-12-18)13-14-5-7-16-8-6-14/h5-8,15H,1-4,9-13H2
InChi Info:
AuxInfo=1/0/N:16,17,15,18,1,5,2,4,9,13,10,12,7,6,14,3,8,11/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)/rA:18nCCNCCCCNCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;s10;s11;s8s12;s11;s14;s15;s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H23N3 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.83732 |
Area: | 440.004 |
Solvation: | -2.16279 |
Coulombic: | -14.629 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 245.363 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 1.42 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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