cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

C14H26N2O2 — CID 82120186

IUPACcyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)11-15-7-9-16(10-8-15)14(18)13-5-3-2-4-6-13/h12-13,17H,2-11H2,1H3
InChIKeyXNCQRJDJKFJCBO-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.09
Rot. Bonds3

About cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone

cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (PubChem CID 82120186) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
PubChem CID82120186
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namecyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
SMILESCC(O)CN1CCN(C(=O)C2CCCCC2)CC1
InChIInChI=1S/C14H26N2O2/c1-12(17)11-15-7-9-16(10-8-15)14(18)13-5-3-2-4-6-13/h12-13,17H,2-11H2,1H3
InChIKeyXNCQRJDJKFJCBO-UHFFFAOYSA-N
XLogP1.09
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
cyclohexyl-[4-(2-cyclopropyl-2-hydroxyethyl)piperazin-1-yl]methanone
CID 71783040
[4-(3-amino-2-hydroxypropyl)piperazin-1-yl]-cyclohexylmethanone
CID 82023468
cyclohexyl-[4-(3-methylbutyl)piperazin-1-yl]methanone
CID 113074992
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
cyclohexyl-[4-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]piperazin-1-yl]methanone
CID 110908182
4-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120691002
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone (CID 82120186) is cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is CC(O)CN1CCN(C(=O)C2CCCCC2)CC1.
What is the InChIKey of cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
The InChIKey is XNCQRJDJKFJCBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(17)11-15-7-9-16(10-8-15)14(18)13-5-3-2-4-6-13/h12-13,17H,2-11H2,1H3.
What are the key properties of cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone?
cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone has a molecular weight of 254.37 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 82120186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).