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

C15H19F2N — CID 116992772

IUPAC3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
SMILESFC(F)(c1cccc(C2CCCNC2)c1)C1CC1
InChIInChI=1S/C15H19F2N/c16-15(17,13-6-7-13)14-5-1-3-11(9-14)12-4-2-8-18-10-12/h1,3,5,9,12-13,18H,2,4,6-8,10H2
InChIKeyQERMXRQVUKPGHR-UHFFFAOYSA-N
MW251.32 g/mol
LogP3.66
Rot. Bonds3

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

3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine (PubChem CID 116992772) has the molecular formula C15H19F2N and a molecular weight of 251.32 g/mol. Its IUPAC name is 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine.

Molecular Properties

Compound Name3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
PubChem CID116992772
Molecular FormulaC15H19F2N
Molecular Weight251.32 g/mol
Exact Mass251.15
IUPAC Name3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
SMILESFC(F)(c1cccc(C2CCCNC2)c1)C1CC1
InChIInChI=1S/C15H19F2N/c16-15(17,13-6-7-13)14-5-1-3-11(9-14)12-4-2-8-18-10-12/h1,3,5,9,12-13,18H,2,4,6-8,10H2
InChIKeyQERMXRQVUKPGHR-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-piperidin-3-ylbenzenethiol
CID 116988736
2-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine
CID 116992771
3-[4-[cyclopropyl(difluoro)methyl]phenyl]pyrrolidine
CID 116992340
(3S)-3-(3-fluorophenyl)piperidine;hydrochloride
CID 45074276
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
3-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]piperidine
CID 117116444
3-[azepan-4-yl(difluoro)methyl]phenol
CID 84728175
1-cyclobutyl-3-(trifluoromethyl)benzene
CID 67441515
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3-piperidin-3-ylphenyl)methanamine
CID 82603658
(3-piperidin-3-ylphenoxy)phosphane
CID 144633040

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
The IUPAC name of 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine (CID 116992772) is 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine.
What is the SMILES notation for 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
The canonical SMILES for 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine is FC(F)(c1cccc(C2CCCNC2)c1)C1CC1.
What is the InChIKey of 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
The InChIKey is QERMXRQVUKPGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N/c16-15(17,13-6-7-13)14-5-1-3-11(9-14)12-4-2-8-18-10-12/h1,3,5,9,12-13,18H,2,4,6-8,10H2.
What are the key properties of 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine?
3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine has a molecular weight of 251.32 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclopropyl(difluoro)methyl]phenyl]piperidine is sourced from PubChem (CID 116992772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).