(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H22N2O2 — CID 4740722

IUPAC(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-12(2)11-16-7-9-17(10-8-16)15(19)13-3-5-14(18)6-4-13/h3-6,12,18H,7-11H2,1-2H3
InChIKeySGOKMEBACHVXAM-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.81
Rot. Bonds3

About (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 4740722) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID4740722
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C15H22N2O2/c1-12(2)11-16-7-9-17(10-8-16)15(19)13-3-5-14(18)6-4-13/h3-6,12,18H,7-11H2,1-2H3
InChIKeySGOKMEBACHVXAM-UHFFFAOYSA-N
XLogP1.81
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(aminomethyl)phenyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831579
(4-hydroxy-2-methylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 103863563
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(4-hydroxyphenyl)methanone
CID 43252011
(6-fluoro-3-pyridinyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63979723
(2-amino-5-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 107074618
(3-amino-4-chlorophenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60963176
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
CID 10779884
(4-bromophenyl)-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95326223
[4-(2-methylpropyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 60590538
1H-indol-5-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 63717494
(2,3-dihydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 114344301
(3-bromo-4-methoxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 60682587

Frequently Asked Questions

What is the IUPAC name of (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 4740722) is (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is SGOKMEBACHVXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(2)11-16-7-9-17(10-8-16)15(19)13-3-5-14(18)6-4-13/h3-6,12,18H,7-11H2,1-2H3.
What are the key properties of (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 262.35 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 4740722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).