3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C14H28ClN3O — CID 120980278

IUPAC3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-16(13-5-3-2-4-6-13)10-7-14(18)17-11-8-15-9-12-17;/h13,15H,2-12H2,1H3;1H
InChIKeyXSYYHHGCAZXORO-UHFFFAOYSA-N
MW289.85 g/mol
LogP1.49
Rot. Bonds4

About 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980278) has the molecular formula C14H28ClN3O and a molecular weight of 289.85 g/mol. Its IUPAC name is 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980278
Molecular FormulaC14H28ClN3O
Molecular Weight289.85 g/mol
Exact Mass289.19
IUPAC Name3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)C1CCCCC1.Cl
InChIInChI=1S/C14H27N3O.ClH/c1-16(13-5-3-2-4-6-13)10-7-14(18)17-11-8-15-9-12-17;/h13,15H,2-12H2,1H3;1H
InChIKeyXSYYHHGCAZXORO-UHFFFAOYSA-N
XLogP1.49
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.85
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-[methyl-(2-methylsulfonylcyclohexyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981947
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60500884
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
N-cycloheptyl-4-methyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide
CID 50775957
3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980934

Frequently Asked Questions

What is the IUPAC name of 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980278) is 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CN(CCC(=O)N1CCNCC1)C1CCCCC1.Cl.
What is the InChIKey of 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is XSYYHHGCAZXORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O.ClH/c1-16(13-5-3-2-4-6-13)10-7-14(18)17-11-8-15-9-12-17;/h13,15H,2-12H2,1H3;1H.
What are the key properties of 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 289.85 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).