N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine

C16H24F2N2 — CID 115526298

IUPACN-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H24F2N2/c1-13(12-20-8-3-2-4-9-20)19-11-14-6-5-7-15(10-14)16(17)18/h5-7,10,13,16,19H,2-4,8-9,11-12H2,1H3
InChIKeyQBZVIOLDROLPPF-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.59
Rot. Bonds6

About N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine

N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 115526298) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID115526298
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC NameN-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1cccc(C(F)F)c1
InChIInChI=1S/C16H24F2N2/c1-13(12-20-8-3-2-4-9-20)19-11-14-6-5-7-15(10-14)16(17)18/h5-7,10,13,16,19H,2-4,8-9,11-12H2,1H3
InChIKeyQBZVIOLDROLPPF-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-(difluoromethyl)phenyl]methyl]-2-methyl-3-piperidin-1-ylpropan-1-amine
CID 115526373
(2S)-N-[(3-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 51683369
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
N-[(4-bromo-3-fluorophenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 81002797
N-[[4-(difluoromethoxy)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434892
N-[(4-fluoro-3-methoxyphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 115765572
N-[(4-bromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43434906
N-[(3,5-dibromophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107972034
N-[[3-(difluoromethyl)phenyl]methyl]hexan-2-amine
CID 115526455
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938186
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580

Frequently Asked Questions

What is the IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine (CID 115526298) is N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCc1cccc(C(F)F)c1.
What is the InChIKey of N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is QBZVIOLDROLPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-13(12-20-8-3-2-4-9-20)19-11-14-6-5-7-15(10-14)16(17)18/h5-7,10,13,16,19H,2-4,8-9,11-12H2,1H3.
What are the key properties of N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine?
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 282.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 115526298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).