1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride

C17H33ClN2O — CID 119519329

IUPAC1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(12-15-6-4-3-5-7-15)17(20)19-10-8-16(9-11-19)14(2)18;/h13-16H,3-12,18H2,1-2H3;1H
InChIKeyUVMWWIQXPUUBON-UHFFFAOYSA-N
MW316.92 g/mol
LogP3.60
Rot. Bonds4

About 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride

1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride (PubChem CID 119519329) has the molecular formula C17H33ClN2O and a molecular weight of 316.92 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
PubChem CID119519329
Molecular FormulaC17H33ClN2O
Molecular Weight316.92 g/mol
Exact Mass316.23
IUPAC Name1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
SMILESCC(CC1CCCCC1)C(=O)N1CCC(C(C)N)CC1.Cl
InChIInChI=1S/C17H32N2O.ClH/c1-13(12-15-6-4-3-5-7-15)17(20)19-10-8-16(9-11-19)14(2)18;/h13-16H,3-12,18H2,1-2H3;1H
InChIKeyUVMWWIQXPUUBON-UHFFFAOYSA-N
XLogP3.60
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.92
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730
3-cyclopentyl-2-methyl-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 119401435
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
1-[4-(1-aminoethyl)piperidin-1-yl]-2-ethylbutan-1-one;hydrochloride
CID 119519463
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
1-[4-(1-aminoethyl)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one;hydrochloride
CID 119517747
3-cyclopentyl-1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-methylpropan-1-one;hydrochloride
CID 119636556
N-[1-[4-(1-aminoethyl)piperidin-1-yl]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 154863211
(3S)-1-(3-cyclohexyl-2-methylpropanoyl)piperidine-3-carboxylic acid
CID 119173789
3-cyclohexyl-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119397343

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride (CID 119519329) is 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride is CC(CC1CCCCC1)C(=O)N1CCC(C(C)N)CC1.Cl.
What is the InChIKey of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride?
The InChIKey is UVMWWIQXPUUBON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O.ClH/c1-13(12-15-6-4-3-5-7-15)17(20)19-10-8-16(9-11-19)14(2)18;/h13-16H,3-12,18H2,1-2H3;1H.
What are the key properties of 1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride?
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride has a molecular weight of 316.92 g/mol, XLogP of 3.60, 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-cyclohexyl-2-methylpropan-1-one;hydrochloride is sourced from PubChem (CID 119519329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).