3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C16H32ClN3O — CID 120981404

IUPAC3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)CCC1CCCCC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-18(11-7-15-5-3-2-4-6-15)12-8-16(20)19-13-9-17-10-14-19;/h15,17H,2-14H2,1H3;1H
InChIKeyAFROHZGGJPJXFP-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.13
Rot. Bonds6

About 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120981404) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120981404
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCN(CCC(=O)N1CCNCC1)CCC1CCCCC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-18(11-7-15-5-3-2-4-6-15)12-8-16(20)19-13-9-17-10-14-19;/h15,17H,2-14H2,1H3;1H
InChIKeyAFROHZGGJPJXFP-UHFFFAOYSA-N
XLogP2.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.91
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
2-[methyl-[2-(oxolan-3-yl)ethyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 120835931
N-(2-cyclohexylethyl)-N-methyl-2-piperazin-1-ylacetamide
CID 115171715
3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089
3-[2-cyclopentylethyl(methyl)amino]propanoic acid
CID 115218342
3-[2-methoxyethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62542594
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980779
3-[methyl-(2-methylsulfonylcyclohexyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981947
3-cyclohexyl-1-[4-(piperidine-4-carbonyl)piperazin-1-yl]propan-1-one
CID 119300396
2-cyclopentyl-1-(1,4-diazepan-1-yl)ethanone;hydrochloride
CID 50988752

Frequently Asked Questions

What is the IUPAC name of 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120981404) is 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CN(CCC(=O)N1CCNCC1)CCC1CCCCC1.Cl.
What is the InChIKey of 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is AFROHZGGJPJXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-18(11-7-15-5-3-2-4-6-15)12-8-16(20)19-13-9-17-10-14-19;/h15,17H,2-14H2,1H3;1H.
What are the key properties of 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120981404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).