N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

C15H22F2N2 — CID 54938186

IUPACN-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1cccc(F)c1F
InChIInChI=1S/C15H22F2N2/c1-12(11-19-8-3-2-4-9-19)18-10-13-6-5-7-14(16)15(13)17/h5-7,12,18H,2-4,8-11H2,1H3
InChIKeyHEQSVFZILRGZAD-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.93
Rot. Bonds5

About N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine

N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (PubChem CID 54938186) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
PubChem CID54938186
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
SMILESCC(CN1CCCCC1)NCc1cccc(F)c1F
InChIInChI=1S/C15H22F2N2/c1-12(11-19-8-3-2-4-9-19)18-10-13-6-5-7-14(16)15(13)17/h5-7,12,18H,2-4,8-11H2,1H3
InChIKeyHEQSVFZILRGZAD-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluoro-3-nitrophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 107349047
N-[(2-chloro-6-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 43749140
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
1-piperidin-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]propan-2-amine
CID 43435870
1-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43791734
N-[(2,3-difluorophenyl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639847
N-[(2-bromo-4-fluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 54938184
2-[(2,3-difluorophenyl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115618240
N-[(4-fluoro-3-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 62121470
N-[[3-(difluoromethyl)phenyl]methyl]-1-piperidin-1-ylpropan-2-amine
CID 115526298
N-[(3-fluoro-4-methylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 63646067

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The IUPAC name of N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine (CID 54938186) is N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The canonical SMILES for N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is CC(CN1CCCCC1)NCc1cccc(F)c1F.
What is the InChIKey of N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
The InChIKey is HEQSVFZILRGZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-12(11-19-8-3-2-4-9-19)18-10-13-6-5-7-14(16)15(13)17/h5-7,12,18H,2-4,8-11H2,1H3.
What are the key properties of N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine?
N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine has a molecular weight of 268.35 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-difluorophenyl)methyl]-1-piperidin-1-ylpropan-2-amine is sourced from PubChem (CID 54938186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).