cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride

C19H29ClN2O — CID 120740582

IUPACcyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-15-8-10-16(11-9-15)18-14-20-12-13-21(18)19(22)17-6-4-3-5-7-17;/h8-11,17-18,20H,2-7,12-14H2,1H3;1H
InChIKeyZNKMYUGYDTVKKN-UHFFFAOYSA-N
MW336.91 g/mol
LogP3.72
Rot. Bonds3

About cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride

cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 120740582) has the molecular formula C19H29ClN2O and a molecular weight of 336.91 g/mol. Its IUPAC name is cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID120740582
Molecular FormulaC19H29ClN2O
Molecular Weight336.91 g/mol
Exact Mass336.20
IUPAC Namecyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride
SMILESCCc1ccc(C2CNCCN2C(=O)C2CCCCC2)cc1.Cl
InChIInChI=1S/C19H28N2O.ClH/c1-2-15-8-10-16(11-9-15)18-14-20-12-13-21(18)19(22)17-6-4-3-5-7-17;/h8-11,17-18,20H,2-7,12-14H2,1H3;1H
InChIKeyZNKMYUGYDTVKKN-UHFFFAOYSA-N
XLogP3.72
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.91
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopentyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone
CID 120741701
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
CID 120741621
1-[4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 120741677
[2-(4-ethylphenyl)piperazin-1-yl]-(thian-4-yl)methanone
CID 120741561
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 120740910
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidine-1-sulfonamide;hydrochloride
CID 120740686
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-2-one;hydrochloride
CID 120741572
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylsulfonylpiperidin-3-yl)methanone
CID 120740951
1-[3-[2-(4-ethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120740649
[2-(4-ethylphenyl)piperazin-1-yl]-[1-(4-methyl-1,3-thiazol-2-yl)piperidin-4-yl]methanone;dihydrochloride
CID 120740376
1-cyclohexyl-3-[2-[2-(4-ethylphenyl)piperazin-1-yl]-2-oxoethyl]urea;hydrochloride
CID 120740666
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride (CID 120740582) is cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride is CCc1ccc(C2CNCCN2C(=O)C2CCCCC2)cc1.Cl.
What is the InChIKey of cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is ZNKMYUGYDTVKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O.ClH/c1-2-15-8-10-16(11-9-15)18-14-20-12-13-21(18)19(22)17-6-4-3-5-7-17;/h8-11,17-18,20H,2-7,12-14H2,1H3;1H.
What are the key properties of cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride?
cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 336.91 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[2-(4-ethylphenyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 120740582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).