1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride

C15H29ClN2O — CID 120727419

IUPAC1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C15H28N2O.ClH/c16-10-9-14-6-3-11-17(12-14)15(18)8-7-13-4-1-2-5-13;/h13-14H,1-12,16H2;1H
InChIKeyMYCJNWDRQKIAOK-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride

1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride (PubChem CID 120727419) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
PubChem CID120727419
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC Name1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
SMILESCl.NCCC1CCCN(C(=O)CCC2CCCC2)C1
InChIInChI=1S/C15H28N2O.ClH/c16-10-9-14-6-3-11-17(12-14)15(18)8-7-13-4-1-2-5-13;/h13-14H,1-12,16H2;1H
InChIKeyMYCJNWDRQKIAOK-UHFFFAOYSA-N
XLogP2.97
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
CID 102978602
1-[3-(2-aminoethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 63766130
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
1-[3-(2-aminoethyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 44784895
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
7-amino-1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 107216980
3-amino-1-[(3S)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494864
[3-(2-aminoethyl)piperidin-1-yl]-cyclobutylmethanone
CID 63766706
3-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129494865
[3-(2-aminoethyl)piperidin-1-yl]-(6-bicyclo[3.1.0]hexanyl)methanone;hydrochloride
CID 120727386
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride (CID 120727419) is 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride is Cl.NCCC1CCCN(C(=O)CCC2CCCC2)C1.
What is the InChIKey of 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
The InChIKey is MYCJNWDRQKIAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c16-10-9-14-6-3-11-17(12-14)15(18)8-7-13-4-1-2-5-13;/h13-14H,1-12,16H2;1H.
What are the key properties of 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride?
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride is sourced from PubChem (CID 120727419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).