4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride

C18H21ClFNO — CID 18623234

IUPAC4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
SMILESCOc1ccc(F)cc1C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C18H20FNO.ClH/c1-21-17-8-7-15(19)13-16(17)18(9-11-20-12-10-18)14-5-3-2-4-6-14;/h2-8,13,20H,9-12H2,1H3;1H
InChIKeyCWHCOAVTPIQGQP-UHFFFAOYSA-N
MW321.82 g/mol
LogP3.93
Rot. Bonds3

About 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride

4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride (PubChem CID 18623234) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride.

Molecular Properties

Compound Name4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
PubChem CID18623234
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC Name4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride
SMILESCOc1ccc(F)cc1C1(c2ccccc2)CCNCC1.Cl
InChIInChI=1S/C18H20FNO.ClH/c1-21-17-8-7-15(19)13-16(17)18(9-11-20-12-10-18)14-5-3-2-4-6-14;/h2-8,13,20H,9-12H2,1H3;1H
InChIKeyCWHCOAVTPIQGQP-UHFFFAOYSA-N
XLogP3.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride?
The IUPAC name of 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride (CID 18623234) is 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride.
What is the SMILES notation for 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride?
The canonical SMILES for 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride is COc1ccc(F)cc1C1(c2ccccc2)CCNCC1.Cl.
What is the InChIKey of 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride?
The InChIKey is CWHCOAVTPIQGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO.ClH/c1-21-17-8-7-15(19)13-16(17)18(9-11-20-12-10-18)14-5-3-2-4-6-14;/h2-8,13,20H,9-12H2,1H3;1H.
What are the key properties of 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride?
4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride has a molecular weight of 321.82 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methoxyphenyl)-4-phenylpiperidine;hydrochloride is sourced from PubChem (CID 18623234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).