4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride

C18H21ClFNO — CID 19874359

IUPAC4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride
SMILESCl.Fc1ccc(C(OC2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C18H20FNO.ClH/c19-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)21-17-10-12-20-13-11-17;/h1-9,17-18,20H,10-13H2;1H
InChIKeyQKEBHCQQPRYTER-UHFFFAOYSA-N
MW321.82 g/mol
LogP4.11
Rot. Bonds4

About 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride

4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride (PubChem CID 19874359) has the molecular formula C18H21ClFNO and a molecular weight of 321.82 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride
PubChem CID19874359
Molecular FormulaC18H21ClFNO
Molecular Weight321.82 g/mol
Exact Mass321.13
IUPAC Name4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride
SMILESCl.Fc1ccc(C(OC2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C18H20FNO.ClH/c19-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)21-17-10-12-20-13-11-17;/h1-9,17-18,20H,10-13H2;1H
InChIKeyQKEBHCQQPRYTER-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.82
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride?
The IUPAC name of 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride (CID 19874359) is 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride.
What is the SMILES notation for 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride?
The canonical SMILES for 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride is Cl.Fc1ccc(C(OC2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride?
The InChIKey is QKEBHCQQPRYTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO.ClH/c19-16-8-6-15(7-9-16)18(14-4-2-1-3-5-14)21-17-10-12-20-13-11-17;/h1-9,17-18,20H,10-13H2;1H.
What are the key properties of 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride?
4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride has a molecular weight of 321.82 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)-phenylmethoxy]piperidine;hydrochloride is sourced from PubChem (CID 19874359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).