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Chemical ID: 5113297
Chemical ID:
5113297
Name [?]:
3-phenyl-2-(1-piperidyl)propan-1-ol
SMILES [?]:
c1ccc(cc1)CC(CO)N2CCCCC2
InChi [?]:
InChI=1/C14H21NO/c16-12-14(15-9-5-2-6-10-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,14,2,6,13,15,3,5,12,16,7,9,4,8,11,10/E:(3,4)(5,6)(7,8)(9,10)/rA:16cCCCCCCCCCONCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s8;s11;s12;s13;s14;s11s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.82442 |
Area: | 396.687 |
Solvation: | -2.09276 |
Coulombic: | -23.5298 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 219.323 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.12 |
LogP (Chemaxon): | 2.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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