1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine

C24H29F2NO — CID 126671441

IUPAC1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine
SMILESFC1(F)CCCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)cc2)C1
InChIInChI=1S/C24H29F2NO/c25-24(26)14-3-15-27(18-24)16-19-6-10-21(11-7-19)22-12-8-20(9-13-22)17-28-23-4-1-2-5-23/h6-13,23H,1-5,14-18H2
InChIKeyQMVDZGROCMWLIW-UHFFFAOYSA-N
MW385.50 g/mol
LogP6.04
Rot. Bonds6

About 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine

1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine (PubChem CID 126671441) has the molecular formula C24H29F2NO and a molecular weight of 385.50 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine
PubChem CID126671441
Molecular FormulaC24H29F2NO
Molecular Weight385.50 g/mol
Exact Mass385.22
IUPAC Name1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine
SMILESFC1(F)CCCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)cc2)C1
InChIInChI=1S/C24H29F2NO/c25-24(26)14-3-15-27(18-24)16-19-6-10-21(11-7-19)22-12-8-20(9-13-22)17-28-23-4-1-2-5-23/h6-13,23H,1-5,14-18H2
InChIKeyQMVDZGROCMWLIW-UHFFFAOYSA-N
XLogP6.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine?
The IUPAC name of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine (CID 126671441) is 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine.
What is the SMILES notation for 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine?
The canonical SMILES for 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine is FC1(F)CCCN(Cc2ccc(-c3ccc(COC4CCCC4)cc3)cc2)C1.
What is the InChIKey of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine?
The InChIKey is QMVDZGROCMWLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2NO/c25-24(26)14-3-15-27(18-24)16-19-6-10-21(11-7-19)22-12-8-20(9-13-22)17-28-23-4-1-2-5-23/h6-13,23H,1-5,14-18H2.
What are the key properties of 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine?
1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine has a molecular weight of 385.50 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopentyloxymethyl)phenyl]phenyl]methyl]-3,3-difluoropiperidine is sourced from PubChem (CID 126671441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).