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Chemical ID: 5011691
Chemical ID:
5011691
Name [?]:
2-(1-naphthylmethyl)piperidine
SMILES [?]:
c1ccc2c(c1)cccc2CC3CCCCN3
InChi [?]:
InChI=1/C16H19N/c1-2-10-16-13(6-1)7-5-8-14(16)12-15-9-3-4-11-17-15/h1-2,5-8,10,15,17H,3-4,9,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,14,15,8,6,7,9,13,3,16,11,5,10,12,4,17/rA:17cCCCCCCCCCCCCCCCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s15;s12s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H19N |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.01234 |
Area: | 406.014 |
Solvation: | -1.13802 |
Coulombic: | -11.7143 |
Bond Count [?]
All: | 19 |
Single: | 14 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 225.329 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.86 |
LogP (Chemaxon): | 3.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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