1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride

C15H29ClN2O2 — CID 119375428

IUPAC1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-2-14(19-13-6-4-3-5-7-13)15(18)17-10-8-12(16)9-11-17;/h12-14H,2-11,16H2,1H3;1H
InChIKeyPMQJQEZWXYQSGZ-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride

1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride (PubChem CID 119375428) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
PubChem CID119375428
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride
SMILESCCC(OC1CCCCC1)C(=O)N1CCC(N)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-2-14(19-13-6-4-3-5-7-13)15(18)17-10-8-12(16)9-11-17;/h12-14H,2-11,16H2,1H3;1H
InChIKeyPMQJQEZWXYQSGZ-UHFFFAOYSA-N
XLogP2.49
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-cyclopentyloxybutan-1-one
CID 119410162
1-(4-aminopiperidin-1-yl)-2-methoxybutan-1-one
CID 119374175
2-cyclohexyloxy-1-(1-oxo-1,4-thiazinan-4-yl)butan-1-one
CID 86779212
(2R)-2-cyclopentyloxy-1-[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]butan-1-one
CID 97213320
1-[3-(1-aminoethyl)piperidin-1-yl]-2-cyclohexyloxybutan-1-one;hydrochloride
CID 119595319
(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidine-3-carboxylic acid
CID 99623318
2-cyclohexyloxy-1-(3-piperazin-1-ylpyrrolidin-1-yl)butan-1-one
CID 120997669
3-[(3S)-1-[(2S)-2-cyclohexyloxybutanoyl]piperidin-3-yl]propanoic acid
CID 124684075
(2S)-2-cyclohexyloxy-1-[4-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]butan-1-one
CID 97226355
4-(2-cyclopentyloxybutanoyl)morpholine-2-carboxylic acid
CID 119239391
(2S)-4-[(2S)-2-cyclohexyloxybutanoyl]morpholine-2-carboxylic acid
CID 125118721
1-(3-aminopiperidin-1-yl)-2-(3-methylcyclohexyl)oxybutan-1-one;hydrochloride
CID 119379471

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride (CID 119375428) is 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride is CCC(OC1CCCCC1)C(=O)N1CCC(N)CC1.Cl.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride?
The InChIKey is PMQJQEZWXYQSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-2-14(19-13-6-4-3-5-7-13)15(18)17-10-8-12(16)9-11-17;/h12-14H,2-11,16H2,1H3;1H.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride?
1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-cyclohexyloxybutan-1-one;hydrochloride is sourced from PubChem (CID 119375428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).