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

C19H28N2O2 — CID 68814715

IUPAC1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one
SMILESCC(Oc1ccc(CN2CCNCC2=O)cc1)C1CCCCC1
InChIInChI=1S/C19H28N2O2/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
InChIKeyUHBJPFMAVSARSH-UHFFFAOYSA-N
MW316.44 g/mol
LogP2.97
Rot. Bonds5

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

1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one (PubChem CID 68814715) has the molecular formula C19H28N2O2 and a molecular weight of 316.44 g/mol. Its IUPAC name is 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one
PubChem CID68814715
Molecular FormulaC19H28N2O2
Molecular Weight316.44 g/mol
Exact Mass316.22
IUPAC Name1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one
SMILESCC(Oc1ccc(CN2CCNCC2=O)cc1)C1CCCCC1
InChIInChI=1S/C19H28N2O2/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
InChIKeyUHBJPFMAVSARSH-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one;hydrochloride
CID 68814714
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
3-[[4-(1-cyclohexylethoxy)phenyl]methyl]-5,5-dimethyl-1,3-oxazinan-2-one
CID 25173615
[4-(1-cyclohexylethoxy)phenyl]methanamine
CID 66706852
[4-(1-cyclohexylethoxy)phenyl]methanol
CID 68815340
1-[[4-(hydroxymethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 113365948
1-(4-propan-2-yloxyphenyl)piperazin-2-one
CID 64567030
1-[4-(1-cyclohexylethoxy)phenyl]piperidine
CID 154185560
1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
1-(1-cyclohexylpropyl)piperazin-2-one
CID 64566211
1-(pyridin-4-ylmethyl)-1,4-diazocan-2-one
CID 117016152
1-[(4-fluorophenyl)methyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 171923482

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one?
The IUPAC name of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one (CID 68814715) is 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one is CC(Oc1ccc(CN2CCNCC2=O)cc1)C1CCCCC1.
What is the InChIKey of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one?
The InChIKey is UHBJPFMAVSARSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O2/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.
What are the key properties of 1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one?
1-[[4-(1-cyclohexylethoxy)phenyl]methyl]piperazin-2-one has a molecular weight of 316.44 g/mol, XLogP of 2.97, 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 is sourced from PubChem (CID 68814715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).