3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride

C16H32ClN3O — CID 120980779

IUPAC3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCC1CCC(N(C)CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-3-14-4-6-15(7-5-14)18(2)11-8-16(20)19-12-9-17-10-13-19;/h14-15,17H,3-13H2,1-2H3;1H
InChIKeyYROMHVONHFRYHN-UHFFFAOYSA-N
MW317.91 g/mol
LogP2.13
Rot. Bonds5

About 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride

3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride (PubChem CID 120980779) has the molecular formula C16H32ClN3O and a molecular weight of 317.91 g/mol. Its IUPAC name is 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
PubChem CID120980779
Molecular FormulaC16H32ClN3O
Molecular Weight317.91 g/mol
Exact Mass317.22
IUPAC Name3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride
SMILESCCC1CCC(N(C)CCC(=O)N2CCNCC2)CC1.Cl
InChIInChI=1S/C16H31N3O.ClH/c1-3-14-4-6-15(7-5-14)18(2)11-8-16(20)19-12-9-17-10-13-19;/h14-15,17H,3-13H2,1-2H3;1H
InChIKeyYROMHVONHFRYHN-UHFFFAOYSA-N
XLogP2.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-(dimethylamino)-1-(4-ethylpiperidin-1-yl)propan-1-one
CID 58662028
3-[cyclopropyl(propan-2-yl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980934
5-[(4-ethylcyclohexyl)-methylamino]pentan-2-one
CID 61449187
3-[methyl-(4-methylcyclohexyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60500884
3-[2-cyclohexylethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981404
3-[cyclohexyl(ethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980296
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
3-[methyl-(2-methylsulfonylcyclohexyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120981947
1-piperazin-1-ylbutan-1-one;hydrochloride
CID 67460380
3-[methyl(oxolan-3-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120982089

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The IUPAC name of 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride (CID 120980779) is 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The canonical SMILES for 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride is CCC1CCC(N(C)CCC(=O)N2CCNCC2)CC1.Cl.
What is the InChIKey of 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
The InChIKey is YROMHVONHFRYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.ClH/c1-3-14-4-6-15(7-5-14)18(2)11-8-16(20)19-12-9-17-10-13-19;/h14-15,17H,3-13H2,1-2H3;1H.
What are the key properties of 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride?
3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride has a molecular weight of 317.91 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylcyclohexyl)-methylamino]-1-piperazin-1-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120980779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).