2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine

C15H19F2N — CID 116992771

IUPAC2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
SMILESFC(F)(c1cccc(C2CCCCN2)c1)C1CC1
InChIInChI=1S/C15H19F2N/c16-15(17,12-7-8-12)13-5-3-4-11(10-13)14-6-1-2-9-18-14/h3-5,10,12,14,18H,1-2,6-9H2
InChIKeyOXAJMKMSSAQXMS-UHFFFAOYSA-N
MW251.32 g/mol
LogP4.00
Rot. Bonds3

About 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine

2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine (PubChem CID 116992771) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine.

Molecular Properties

Compound Name2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
PubChem CID116992771
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
SMILESFC(F)(c1cccc(C2CCCCN2)c1)C1CC1
InChIInChI=1S/C15H19F2N/c16-15(17,12-7-8-12)13-5-3-4-11(10-13)14-6-1-2-9-18-14/h3-5,10,12,14,18H,1-2,6-9H2
InChIKeyOXAJMKMSSAQXMS-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.32
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(2-fluoropropan-2-yl)phenyl]piperidine
CID 84687033
3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992772
(2R)-2-[3-(trifluoromethyl)phenyl]azetidine;hydrochloride
CID 171197302
(2R)-2-(3-iodophenyl)piperidine
CID 7048045
3-[(2S)-piperidin-2-yl]phenol
CID 55277853
(2R)-2-(3-ethenylphenyl)piperidine
CID 131060850
(2R)-2-(3-chlorophenyl)piperidine;hydrochloride
CID 154574647
(2R)-2-(3-methylphenyl)azepane
CID 7048257
(2S)-2-phenylpiperidine
CID 10997356
2-(3-chlorophenyl)azepane;hydrochloride
CID 46835309
(2S)-2-(3-phenylphenyl)piperidine;hydrochloride
CID 171195217
2-[4-(trifluoromethyl)phenyl]azepane
CID 3972899

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
The IUPAC name of 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine (CID 116992771) is 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine.
What is the SMILES notation for 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
The canonical SMILES for 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine is FC(F)(c1cccc(C2CCCCN2)c1)C1CC1.
What is the InChIKey of 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
The InChIKey is OXAJMKMSSAQXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-15(17,12-7-8-12)13-5-3-4-11(10-13)14-6-1-2-9-18-14/h3-5,10,12,14,18H,1-2,6-9H2.
What are the key properties of 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine has a molecular weight of 251.32 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine is sourced from PubChem (CID 116992771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).