1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride

C19H29ClN2O2 — CID 68814714

IUPAC1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride
SMILESCC(Oc1ccc(CN2CCNCC2=O)cc1)C1CCCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15(17-5-3-2-4-6-17)23-18-9-7-16(8-10-18)14-21-12-11-20-13-19(21)22;/h7-10,15,17,20H,2-6,11-14H2,1H3;1H
InChIKeyDZLSOCUDMWWYKD-UHFFFAOYSA-N
MW352.91 g/mol
LogP3.39
Rot. Bonds5

About 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride

1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride (PubChem CID 68814714) has the molecular formula C19H29ClN2O2 and a molecular weight of 352.91 g/mol. Its IUPAC name is 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride
PubChem CID68814714
Molecular FormulaC19H29ClN2O2
Molecular Weight352.91 g/mol
Exact Mass352.19
IUPAC Name1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride
SMILESCC(Oc1ccc(CN2CCNCC2=O)cc1)C1CCCCC1.Cl
InChIInChI=1S/C19H28N2O2.ClH/c1-15(17-5-3-2-4-6-17)23-18-9-7-16(8-10-18)14-21-12-11-20-13-19(21)22;/h7-10,15,17,20H,2-6,11-14H2,1H3;1H
InChIKeyDZLSOCUDMWWYKD-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.91
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride?
The IUPAC name of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride (CID 68814714) is 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride.
What is the SMILES notation for 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride?
The canonical SMILES for 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride is CC(Oc1ccc(CN2CCNCC2=O)cc1)C1CCCCC1.Cl.
What is the InChIKey of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride?
The InChIKey is DZLSOCUDMWWYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2.ClH/c1-15(17-5-3-2-4-6-17)23-18-9-7-16(8-10-18)14-21-12-11-20-13-19(21)22;/h7-10,15,17,20H,2-6,11-14H2,1H3;1H.
What are the key properties of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride?
1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride has a molecular weight of 352.91 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride is sourced from PubChem (CID 68814714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).