1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride

C13H19ClF2N2 — CID 119918436

IUPAC1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2cc(F)ccc2F)C1.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-16-12-3-2-6-17(9-12)8-10-7-11(14)4-5-13(10)15;/h4-5,7,12,16H,2-3,6,8-9H2,1H3;1H
InChIKeyFLHAUMMPYKBSDS-UHFFFAOYSA-N
MW276.76 g/mol
LogP2.57
Rot. Bonds3

About 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride

1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride (PubChem CID 119918436) has the molecular formula C13H19ClF2N2 and a molecular weight of 276.76 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
PubChem CID119918436
Molecular FormulaC13H19ClF2N2
Molecular Weight276.76 g/mol
Exact Mass276.12
IUPAC Name1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
SMILESCNC1CCCN(Cc2cc(F)ccc2F)C1.Cl
InChIInChI=1S/C13H18F2N2.ClH/c1-16-12-3-2-6-17(9-12)8-10-7-11(14)4-5-13(10)15;/h4-5,7,12,16H,2-3,6,8-9H2,1H3;1H
InChIKeyFLHAUMMPYKBSDS-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.76
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride (CID 119918436) is 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride is CNC1CCCN(Cc2cc(F)ccc2F)C1.Cl.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
The InChIKey is FLHAUMMPYKBSDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2.ClH/c1-16-12-3-2-6-17(9-12)8-10-7-11(14)4-5-13(10)15;/h4-5,7,12,16H,2-3,6,8-9H2,1H3;1H.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride?
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride has a molecular weight of 276.76 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride is sourced from PubChem (CID 119918436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).