[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine

C13H18F2N2 — CID 43658934

IUPAC[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C13H18F2N2/c14-12-5-1-4-11(13(12)15)9-17-6-2-3-10(7-16)8-17/h1,4-5,10H,2-3,6-9,16H2
InChIKeyKGAWCGMMNJYALW-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.14
Rot. Bonds3

About [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine

[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine (PubChem CID 43658934) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
PubChem CID43658934
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
SMILESNCC1CCCN(Cc2cccc(F)c2F)C1
InChIInChI=1S/C13H18F2N2/c14-12-5-1-4-11(13(12)15)9-17-6-2-3-10(7-16)8-17/h1,4-5,10H,2-3,6-9,16H2
InChIKeyKGAWCGMMNJYALW-UHFFFAOYSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 42257335
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
[1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;dihydrate;dihydrochloride
CID 90647197
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
[1-[(2-bromophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915654
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
[1-[(2,6-difluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62069119
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanamine;hydrochloride
CID 119915607
2-[(3-ethylpiperidin-1-yl)methyl]-6-fluorophenol
CID 112616106
[(3R)-1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 86313839
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
(3R)-1-[(3-chloro-2-fluorophenyl)methyl]piperidin-3-amine
CID 24904568

Frequently Asked Questions

What is the IUPAC name of [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine?
The IUPAC name of [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine (CID 43658934) is [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine.
What is the SMILES notation for [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine?
The canonical SMILES for [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine is NCC1CCCN(Cc2cccc(F)c2F)C1.
What is the InChIKey of [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine?
The InChIKey is KGAWCGMMNJYALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-12-5-1-4-11(13(12)15)9-17-6-2-3-10(7-16)8-17/h1,4-5,10H,2-3,6-9,16H2.
What are the key properties of [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine?
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine has a molecular weight of 240.30 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine is sourced from PubChem (CID 43658934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).