[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride

C13H17ClF2N2O — CID 119465009

IUPAC[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H16F2N2O.ClH/c14-10-3-4-11(12(15)6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H
InChIKeyAIGHDLBBYZZEMM-UHFFFAOYSA-N
MW290.74 g/mol
LogP2.20
Rot. Bonds2

About [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride

[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride (PubChem CID 119465009) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
PubChem CID119465009
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride
SMILESCl.NCC1CCCN(C(=O)c2ccc(F)cc2F)C1
InChIInChI=1S/C13H16F2N2O.ClH/c14-10-3-4-11(12(15)6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H
InChIKeyAIGHDLBBYZZEMM-UHFFFAOYSA-N
XLogP2.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(aminomethyl)piperidin-1-yl]-(4-chloro-2-fluorophenyl)methanone;hydrochloride
CID 119464843
[3-(aminomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone;hydrochloride
CID 119465102
[3-(aminomethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone;hydrochloride
CID 119465078
[3-(aminomethyl)pyrrolidin-1-yl]-(2,5-difluorophenyl)methanone;hydrochloride
CID 119484302
(3-aminopyrrolidin-1-yl)-(2,4-difluorophenyl)methanone
CID 62069041
[3-(aminomethyl)piperidin-1-yl]-(5-bromo-2-fluorophenyl)methanone;hydrochloride
CID 119464932
(2,4-difluorophenyl)-[(3R)-3-hydroxypiperidin-1-yl]methanone
CID 68625081
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluoro-5-methylphenyl)methanone
CID 112701232
N-[[(3R)-1-(2,4-difluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95320812
(3-aminopiperidin-1-yl)-(2,5-difluorophenyl)methanone;hydrochloride
CID 119378374
(3-aminopiperidin-1-yl)-[1-(2,4-difluorobenzoyl)piperidin-4-yl]methanone
CID 119379144
[3-(2-aminoethyl)piperidin-1-yl]-(5-fluoro-2-methylphenyl)methanone
CID 63765748

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride (CID 119465009) is [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride is Cl.NCC1CCCN(C(=O)c2ccc(F)cc2F)C1.
What is the InChIKey of [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride?
The InChIKey is AIGHDLBBYZZEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O.ClH/c14-10-3-4-11(12(15)6-10)13(18)17-5-1-2-9(7-16)8-17;/h3-4,6,9H,1-2,5,7-8,16H2;1H.
What are the key properties of [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride?
[3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride has a molecular weight of 290.74 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)piperidin-1-yl]-(2,4-difluorophenyl)methanone;hydrochloride is sourced from PubChem (CID 119465009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).