N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine

C16H22F2N2 — CID 106534307

IUPACN-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
SMILESCN1CCCC(CNC2CC2)C1c1cc(F)cc(F)c1
InChIInChI=1S/C16H22F2N2/c1-20-6-2-3-11(10-19-15-4-5-15)16(20)12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19H,2-6,10H2,1H3
InChIKeyMCPMJPHAQWKTRK-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.10
Rot. Bonds4

About N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine

N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine (PubChem CID 106534307) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
PubChem CID106534307
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC NameN-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
SMILESCN1CCCC(CNC2CC2)C1c1cc(F)cc(F)c1
InChIInChI=1S/C16H22F2N2/c1-20-6-2-3-11(10-19-15-4-5-15)16(20)12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19H,2-6,10H2,1H3
InChIKeyMCPMJPHAQWKTRK-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-fluoro-5-(trifluoromethyl)phenyl]-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 115350578
N-[[2-(3-chloro-2-fluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 114488895
N-[[1-methyl-2-(5-methyl-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 81311172
N-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688
N-[[2-(2-chloro-6-methoxyphenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine
CID 104818671
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
N-[[2-(3-fluoro-5-methylphenyl)cyclobutyl]methyl]cyclopropanamine
CID 81017647
N-methyl-1-[1-methyl-2-(6-methyl-3-pyridinyl)piperidin-3-yl]methanamine
CID 104823699
N-[[2-(6-methoxy-2-pyridinyl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 103348585
N-[[1-methyl-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 104771740
(3R)-1-benzyl-N-[[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methyl]piperidin-3-amine
CID 129331056
1-[2-(1-ethylpyrazol-4-yl)-1-methylpiperidin-3-yl]-N-methylmethanamine
CID 103570717

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine (CID 106534307) is N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine is CN1CCCC(CNC2CC2)C1c1cc(F)cc(F)c1.
What is the InChIKey of N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is MCPMJPHAQWKTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-20-6-2-3-11(10-19-15-4-5-15)16(20)12-7-13(17)9-14(18)8-12/h7-9,11,15-16,19H,2-6,10H2,1H3.
What are the key properties of N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine?
N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 280.36 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,5-difluorophenyl)-1-methylpiperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 106534307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).