1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one

C15H28N2O — CID 63596026

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(N)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-12(16)14-8-10-17(11-9-14)15(18)7-6-13-4-2-3-5-13/h12-14H,2-11,16H2,1H3
InChIKeyCNIZGNJLVYVVHZ-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.54
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one

1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one (PubChem CID 63596026) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
PubChem CID63596026
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
SMILESCC(N)C1CCN(C(=O)CCC2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-12(16)14-8-10-17(11-9-14)15(18)7-6-13-4-2-3-5-13/h12-14H,2-11,16H2,1H3
InChIKeyCNIZGNJLVYVVHZ-UHFFFAOYSA-N
XLogP2.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(oxolan-2-yl)propan-1-one;hydrochloride
CID 119518131
1-[4-(1-aminoethyl)piperidin-1-yl]-5,5-dimethylhexan-1-one;hydrochloride
CID 119520948
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide
CID 119517350
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylsulfonylpropan-1-one
CID 119520216
1-[4-(1-aminoethyl)piperidin-1-yl]-3-propan-2-yloxypropan-1-one
CID 119517505
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119517349

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one (CID 63596026) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one is CC(N)C1CCN(C(=O)CCC2CCCC2)CC1.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
The InChIKey is CNIZGNJLVYVVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-12(16)14-8-10-17(11-9-14)15(18)7-6-13-4-2-3-5-13/h12-14H,2-11,16H2,1H3.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one has a molecular weight of 252.40 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one is sourced from PubChem (CID 63596026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).