2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride

C17H33ClN2O — CID 119543004

IUPAC2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCC(CC1CCCC1)C(=O)N1CCC(CNC)CC1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-3-16(12-14-6-4-5-7-14)17(20)19-10-8-15(9-11-19)13-18-2;/h14-16,18H,3-13H2,1-2H3;1H
InChIKeyLFFAHQWIUYFTJG-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.47
Rot. Bonds6

About 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride

2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride (PubChem CID 119543004) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
PubChem CID119543004
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
SMILESCCC(CC1CCCC1)C(=O)N1CCC(CNC)CC1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-3-16(12-14-6-4-5-7-14)17(20)19-10-8-15(9-11-19)13-18-2;/h14-16,18H,3-13H2,1-2H3;1H
InChIKeyLFFAHQWIUYFTJG-UHFFFAOYSA-N
XLogP3.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
CID 119562388
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(cyclopentylmethyl)butan-1-one
CID 120819076
2-[(2-bromophenyl)methyl]-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119544329
1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 22983130
2,3,3-trimethyl-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 119543962
[4-(methylaminomethyl)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79160945
1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 22983136
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
2-butoxy-1-[4-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119546364

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The IUPAC name of 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride (CID 119543004) is 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride.
What is the SMILES notation for 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The canonical SMILES for 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride is CCC(CC1CCCC1)C(=O)N1CCC(CNC)CC1.Cl.
What is the InChIKey of 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
The InChIKey is LFFAHQWIUYFTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-3-16(12-14-6-4-5-7-14)17(20)19-10-8-15(9-11-19)13-18-2;/h14-16,18H,3-13H2,1-2H3;1H.
What are the key properties of 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride?
2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride is sourced from PubChem (CID 119543004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).