2-(4-ethylpiperazin-1-yl)cyclohexan-1-one

C12H22N2O — CID 43794328

IUPAC2-(4-ethylpiperazin-1-yl)cyclohexan-1-one
SMILESCCN1CCN(C2CCCCC2=O)CC1
InChIInChI=1S/C12H22N2O/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15/h11H,2-10H2,1H3
InChIKeyDPPHDELGMNMOQJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.14
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one

2-(4-ethylpiperazin-1-yl)cyclohexan-1-one (PubChem CID 43794328) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)cyclohexan-1-one
PubChem CID43794328
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-(4-ethylpiperazin-1-yl)cyclohexan-1-one
SMILESCCN1CCN(C2CCCCC2=O)CC1
InChIInChI=1S/C12H22N2O/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15/h11H,2-10H2,1H3
InChIKeyDPPHDELGMNMOQJ-UHFFFAOYSA-N
XLogP1.14
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43794313
2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]cycloheptan-1-one
CID 62885728
2-(4-ethyl-3-methylpiperazin-1-yl)cyclohexan-1-one
CID 63610991
2-(4-acetylpiperazin-1-yl)cyclohexan-1-one
CID 60782148
2-(azetidin-1-yl)cyclohexan-1-one;benzene
CID 156803276
2-piperidin-1-ylcyclopentan-1-one
CID 15566705
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclohexan-1-one
CID 143381826
2-(3-ethyl-3-methylazetidin-1-yl)cyclopentan-1-one
CID 130948290
3-(4-ethyl-1,4-diazepan-1-yl)cyclopentan-1-one
CID 131115351
2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]cyclopentan-1-one
CID 63009114
2-(1,4-oxazepan-4-yl)cycloheptan-1-one
CID 62988801
2-(3-propoxypiperidin-1-yl)cyclohexan-1-one
CID 54990280

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one (CID 43794328) is 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one is CCN1CCN(C2CCCCC2=O)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one?
The InChIKey is DPPHDELGMNMOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-2-13-7-9-14(10-8-13)11-5-3-4-6-12(11)15/h11H,2-10H2,1H3.
What are the key properties of 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one?
2-(4-ethylpiperazin-1-yl)cyclohexan-1-one has a molecular weight of 210.32 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)cyclohexan-1-one is sourced from PubChem (CID 43794328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).