[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine

C13H18F2N2 — CID 67492267

IUPAC[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H18F2N2/c14-12-5-11(6-13(15)7-12)9-17-3-1-10(8-16)2-4-17/h5-7,10H,1-4,8-9,16H2
InChIKeyFCNRPBFFBZUMKX-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.14
Rot. Bonds3

About [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine

[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 67492267) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
PubChem CID67492267
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
SMILESNCC1CCN(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H18F2N2/c14-12-5-11(6-13(15)7-12)9-17-3-1-10(8-16)2-4-17/h5-7,10H,1-4,8-9,16H2
InChIKeyFCNRPBFFBZUMKX-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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Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine (CID 67492267) is [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine is NCC1CCN(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is FCNRPBFFBZUMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-12-5-11(6-13(15)7-12)9-17-3-1-10(8-16)2-4-17/h5-7,10H,1-4,8-9,16H2.
What are the key properties of [1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine?
[1-[(3,5-difluorophenyl)methyl]piperidin-4-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-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 67492267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).