1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine

C21H23F2N — CID 77095627

IUPAC1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(CC2CC2(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23F2N/c22-20(23)11-13-24(14-12-20)16-19-15-21(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyHFKJHTDZXTVCFI-UHFFFAOYSA-N
MW327.42 g/mol
LogP4.72
Rot. Bonds4

About 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine

1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine (PubChem CID 77095627) has the molecular formula C21H23F2N and a molecular weight of 327.42 g/mol. Its IUPAC name is 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine.

Molecular Properties

Compound Name1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine
PubChem CID77095627
Molecular FormulaC21H23F2N
Molecular Weight327.42 g/mol
Exact Mass327.18
IUPAC Name1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine
SMILESFC1(F)CCN(CC2CC2(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H23F2N/c22-20(23)11-13-24(14-12-20)16-19-15-21(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2
InChIKeyHFKJHTDZXTVCFI-UHFFFAOYSA-N
XLogP4.72
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-[(2,2-diphenylcyclopropyl)methyl]azetidin-3-yl]pyridine
CID 56905810
(3S,4S)-1-[(4,4-difluorocyclohexyl)methyl]-4-phenylpiperidine-3,4-diol
CID 162632619
1-tert-butyl-4-[(4,4-difluoropiperidin-1-yl)methyl]-4-phenylpiperidine
CID 118531544
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
CID 101085600
CID 101085600
4,4-difluoro-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-ylmethyl)piperidine
CID 72897669
cis-(1S,2R)-1-(3,4-difluorophenyl)-2-[[4-phenyl-4-(piperidine-1-carbonyl)piperidin-1-yl]methyl]cyclopropane-1-carboxylic acid
CID 68771397
cis-(1S,2R)-2-[[4-[acetyl(methyl)amino]-4-phenylpiperidin-1-yl]methyl]-1-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 68766686
(2S)-2-fluoro-2-phenylcyclopropan-1-amine
CID 155890824
(2,2-diphenylcyclopropyl)methyl formate
CID 10610821
1-[(4-chlorophenyl)methyl]-4,4-difluoropiperidine
CID 165493052
2-[(4-acetamido-4-phenylpiperidin-1-yl)methyl]-1-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 68771380

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine?
The IUPAC name of 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine (CID 77095627) is 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine.
What is the SMILES notation for 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine?
The canonical SMILES for 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine is FC1(F)CCN(CC2CC2(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine?
The InChIKey is HFKJHTDZXTVCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N/c22-20(23)11-13-24(14-12-20)16-19-15-21(19,17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19H,11-16H2.
What are the key properties of 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine?
1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine has a molecular weight of 327.42 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-diphenylcyclopropyl)methyl]-4,4-difluoropiperidine is sourced from PubChem (CID 77095627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).