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Chemical ID: 4253487
Chemical ID:
4253487
Name [?]:
3-[(2-chlorophenyl)methyl]piperidine
SMILES [?]:
c1ccc(c(c1)CC2CCCNC2)Cl
InChi [?]:
InChI=1/C12H16ClN/c13-12-6-2-1-5-11(12)8-10-4-3-7-14-9-10/h1-2,5-6,10,14H,3-4,7-9H2
InChi Info:
AuxInfo=1/0/N:1,2,10,9,6,3,11,7,13,8,5,4,14,12/rA:14cCCCCCCCCCCCNCCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;s9;s10;s11;s8s12;s4;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClN |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.41761 |
Area: | 376.352 |
Solvation: | -0.991198 |
Coulombic: | -11.3371 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.715 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.05 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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