4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine

C15H21F2N — CID 164918393

IUPAC4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C(F)(F)c2ccccc2)CC1
InChIInChI=1S/C15H21F2N/c1-12(2)18-10-8-14(9-11-18)15(16,17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyFMCOMSRQWUQEQX-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.90
Rot. Bonds3

About 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine

4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine (PubChem CID 164918393) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
PubChem CID164918393
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine
SMILESCC(C)N1CCC(C(F)(F)c2ccccc2)CC1
InChIInChI=1S/C15H21F2N/c1-12(2)18-10-8-14(9-11-18)15(16,17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3
InChIKeyFMCOMSRQWUQEQX-UHFFFAOYSA-N
XLogP3.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-methyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]butanenitrile
CID 125491857
(2S)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491908
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetonitrile
CID 125491902
(2R)-2-cyclopentyl-2-phenyl-2-[(3R)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 125491837
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
(2S)-1,1,1-trifluoro-2-(1-propan-2-ylpiperidin-4-yl)propan-2-ol
CID 129298767
1,1-diphenyl-2-(1-propan-2-ylpyrrolidin-3-yl)ethanol;hydrochloride
CID 54604951
4-benzhydryloxy-1-propan-2-ylpiperidine
CID 59898734
3-phenyl-1-propan-2-ylpyrrolidine
CID 3447557
1-[1-(2-bromophenyl)ethyl]-4-(trifluoromethyl)piperidine
CID 169409815
N-[2-(4-tert-butylpiperidin-1-yl)propyl]aniline
CID 63503555
1-[3-[cyclopropyl(difluoro)methyl]phenyl]ethanamine
CID 83856289

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine?
The IUPAC name of 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine (CID 164918393) is 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine?
The canonical SMILES for 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine is CC(C)N1CCC(C(F)(F)c2ccccc2)CC1.
What is the InChIKey of 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine?
The InChIKey is FMCOMSRQWUQEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N/c1-12(2)18-10-8-14(9-11-18)15(16,17)13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3.
What are the key properties of 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine?
4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine has a molecular weight of 253.34 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(phenyl)methyl]-1-propan-2-ylpiperidine is sourced from PubChem (CID 164918393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).