2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone

C14H27N3O2 — CID 65213919

IUPAC2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC1(O)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-16(12-14(19)5-3-2-4-6-14)11-13(18)17-9-7-15-8-10-17/h15,19H,2-12H2,1H3
InChIKeyQIXGWCWLELROEP-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.05
Rot. Bonds4

About 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone

2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone (PubChem CID 65213919) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
PubChem CID65213919
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone
SMILESCN(CC(=O)N1CCNCC1)CC1(O)CCCCC1
InChIInChI=1S/C14H27N3O2/c1-16(12-14(19)5-3-2-4-6-14)11-13(18)17-9-7-15-8-10-17/h15,19H,2-12H2,1H3
InChIKeyQIXGWCWLELROEP-UHFFFAOYSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-hydroxypiperidin-4-yl)methyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 55048950
1-(2,6-dimethylmorpholin-4-yl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 115758447
2-(dimethylamino)-1-piperazin-1-ylethanone
CID 16770302
2-(1-hydroxycyclobutyl)-1-piperazin-1-ylethanone
CID 82505839
N-[1-[2-[(1-hydroxycycloheptyl)methyl-methylamino]acetyl]piperidin-3-yl]acetamide
CID 154741836
2-[2,2-dimethylpropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 61325591
2-[3-fluoropropyl(methyl)amino]-1-piperazin-1-ylethanone
CID 81113401
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
CID 114818797
2-[methyl(2,2,2-trifluoroethyl)amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915085
N-ethyl-N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]acetamide
CID 54903788
4-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]butanenitrile
CID 61018157
1-(1,4-diazepan-1-yl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 55226180

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone (CID 65213919) is 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone is CN(CC(=O)N1CCNCC1)CC1(O)CCCCC1.
What is the InChIKey of 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone?
The InChIKey is QIXGWCWLELROEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-16(12-14(19)5-3-2-4-6-14)11-13(18)17-9-7-15-8-10-17/h15,19H,2-12H2,1H3.
What are the key properties of 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone?
2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone has a molecular weight of 269.39 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclohexyl)methyl-methylamino]-1-piperazin-1-ylethanone is sourced from PubChem (CID 65213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).