(3S)-3-phenoxy-1-phenylpiperidine

C17H19NO — CID 153196970

IUPAC(3S)-3-phenoxy-1-phenylpiperidine
SMILESc1ccc(O[C@H]2CCCN(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19NO/c1-3-8-15(9-4-1)18-13-7-12-17(14-18)19-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1
InChIKeyWJDXRFUSOVSIAQ-KRWDZBQOSA-N
MW253.35 g/mol
LogP3.73
Rot. Bonds3

About (3S)-3-phenoxy-1-phenylpiperidine

(3S)-3-phenoxy-1-phenylpiperidine (PubChem CID 153196970) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (3S)-3-phenoxy-1-phenylpiperidine.

Molecular Properties

Compound Name(3S)-3-phenoxy-1-phenylpiperidine
PubChem CID153196970
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(3S)-3-phenoxy-1-phenylpiperidine
SMILESc1ccc(O[C@H]2CCCN(c3ccccc3)C2)cc1
InChIInChI=1S/C17H19NO/c1-3-8-15(9-4-1)18-13-7-12-17(14-18)19-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1
InChIKeyWJDXRFUSOVSIAQ-KRWDZBQOSA-N
XLogP3.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Diglycidylamino)phenyl glycidyl ether
CID 62558
4-Isopropoxydiphenylamine
CID 7574
1-(2-Ethoxyphenyl)piperazine
CID 83357
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
Acetamide, N-(4-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)phenyl)-
CID 55421
Piperazine, 1-(3-phenoxypropyl)-4-phenyl-
CID 3050372
1-(2-Methoxyphenyl)-4-propylpiperazine
CID 410747
1-(4-Phenoxyphenyl)piperazine
CID 3017356
1-Butyl-4-(2-methoxy-phenyl)-piperazine
CID 10354670
1-Ethyl-4-(2-methoxyphenyl)piperazine
CID 10376185
1-(2-Methoxyphenyl)-4-pentylpiperazine
CID 10422832

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenoxy-1-phenylpiperidine?
The IUPAC name of (3S)-3-phenoxy-1-phenylpiperidine (CID 153196970) is (3S)-3-phenoxy-1-phenylpiperidine.
What is the SMILES notation for (3S)-3-phenoxy-1-phenylpiperidine?
The canonical SMILES for (3S)-3-phenoxy-1-phenylpiperidine is c1ccc(O[C@H]2CCCN(c3ccccc3)C2)cc1.
What is the InChIKey of (3S)-3-phenoxy-1-phenylpiperidine?
The InChIKey is WJDXRFUSOVSIAQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-8-15(9-4-1)18-13-7-12-17(14-18)19-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12-14H2/t17-/m0/s1.
What are the key properties of (3S)-3-phenoxy-1-phenylpiperidine?
(3S)-3-phenoxy-1-phenylpiperidine has a molecular weight of 253.35 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenoxy-1-phenylpiperidine is sourced from PubChem (CID 153196970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).