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Chemical ID: 4587610
Chemical ID:
4587610
Name [?]:
1-phenyl-3-(1-piperidyl)propan-1-ol
SMILES [?]:
c1ccc(cc1)C(CCN2CCCCC2)O
InChi [?]:
InChI=1/C14H21NO/c16-14(13-7-3-1-4-8-13)9-12-15-10-5-2-6-11-15/h1,3-4,7-8,14,16H,2,5-6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,12,14,3,5,8,11,15,9,4,7,10,16/E:(3,4)(5,6)(7,8)(10,11)/rA:16cCCCCCCCCCNCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;s13;s10s14;s7;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H21NO |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.39453 |
Area: | 421.016 |
Solvation: | -2.13086 |
Coulombic: | -23.8848 |
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: | 2.39 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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