1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride

C13H27ClN2O — CID 119519463

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
SMILESCCC(CC)C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-11(5-2)13(16)15-8-6-12(7-9-15)10(3)14;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyXKWKCQPUPQBABL-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.43
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride (PubChem CID 119519463) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
PubChem CID119519463
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
SMILESCCC(CC)C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-4-11(5-2)13(16)15-8-6-12(7-9-15)10(3)14;/h10-12H,4-9,14H2,1-3H3;1H
InChIKeyXKWKCQPUPQBABL-UHFFFAOYSA-N
XLogP2.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 119517747
1-[4-(1-aminoethyl)piperidin-1-yl]-3-ethylpentan-1-one;hydrochloride
CID 119518372
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119519329
1-[4-(1-aminoethyl)piperidin-1-yl]-2-methoxypropan-1-one
CID 115737084
4-[(1S)-1-aminoethyl]piperidine-1-carboxylic acid
CID 137372946
[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl] carbamate
CID 175284066
1-[4-(1-aminoethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 63594642
ethyl 1-(2-ethylbutanoyl)piperidine-4-carboxylate
CID 4294885
1-[4-(1-aminoethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119519475
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
2-ethyl-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113003024
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-ethylbutan-1-one
CID 113005988

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride (CID 119519463) is 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride is CCC(CC)C(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride?
The InChIKey is XKWKCQPUPQBABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-4-11(5-2)13(16)15-8-6-12(7-9-15)10(3)14;/h10-12H,4-9,14H2,1-3H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.43, 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]-2-ethylbutan-1-one;hydrochloride is sourced from PubChem (CID 119519463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).