(4-ethylcyclohexyl)-piperazin-1-ylmethanone

C13H24N2O — CID 118883051

IUPAC(4-ethylcyclohexyl)-piperazin-1-ylmethanone
SMILESCCC1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-11-3-5-12(6-4-11)13(16)15-9-7-14-8-10-15/h11-12,14H,2-10H2,1H3
InChIKeySGMUPGAIAFDCCW-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.63
Rot. Bonds2

About (4-ethylcyclohexyl)-piperazin-1-ylmethanone

(4-ethylcyclohexyl)-piperazin-1-ylmethanone (PubChem CID 118883051) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-piperazin-1-ylmethanone
PubChem CID118883051
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name(4-ethylcyclohexyl)-piperazin-1-ylmethanone
SMILESCCC1CCC(C(=O)N2CCNCC2)CC1
InChIInChI=1S/C13H24N2O/c1-2-11-3-5-12(6-4-11)13(16)15-9-7-14-8-10-15/h11-12,14H,2-10H2,1H3
InChIKeySGMUPGAIAFDCCW-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylcyclohexyl)-piperazin-1-ylmethanone
CID 22229215
cyclopropyl(1,4-diazepan-1-yl)methanone
CID 16775568
[4-(aminomethyl)cyclohexyl]-(4-ethylpiperidin-1-yl)methanone
CID 62807473
4-(cyclopropanecarbonyl)piperazine-1-carboxylic acid;cyclopropyl(piperazin-1-yl)methanone
CID 175756843
(4-ethylpiperidin-1-yl)-[(3S)-piperidin-3-yl]methanone
CID 81129798
azetidin-1-yl-[4-(4-ethylpiperidin-1-yl)cyclohexyl]methanone
CID 177010568
azetidin-3-yl-[4-(4-ethylcyclohexyl)piperazin-1-yl]methanone;ethane
CID 177134542
ethane;(4-ethylcyclohexyl)-[4-[(4-ethylpiperazin-1-yl)methyl]piperidin-1-yl]methanone
CID 176683952
(4-ethylcyclohexyl)-[4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidin-1-yl]methanone
CID 167480439
[4-(cyclopropylmethyl)piperazin-1-yl]-piperidin-4-ylmethanone
CID 54872509
cis-(1S,3R)-3-(4-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091996
[1-(azetidin-3-ylmethyl)-1-methylpiperidin-1-ium-4-yl]-piperazin-1-ylmethanone
CID 175829543

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-piperazin-1-ylmethanone?
The IUPAC name of (4-ethylcyclohexyl)-piperazin-1-ylmethanone (CID 118883051) is (4-ethylcyclohexyl)-piperazin-1-ylmethanone.
What is the SMILES notation for (4-ethylcyclohexyl)-piperazin-1-ylmethanone?
The canonical SMILES for (4-ethylcyclohexyl)-piperazin-1-ylmethanone is CCC1CCC(C(=O)N2CCNCC2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-piperazin-1-ylmethanone?
The InChIKey is SGMUPGAIAFDCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-11-3-5-12(6-4-11)13(16)15-9-7-14-8-10-15/h11-12,14H,2-10H2,1H3.
What are the key properties of (4-ethylcyclohexyl)-piperazin-1-ylmethanone?
(4-ethylcyclohexyl)-piperazin-1-ylmethanone has a molecular weight of 224.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-piperazin-1-ylmethanone is sourced from PubChem (CID 118883051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).