2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

C18H28N2O — CID 23723903

IUPAC2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(C3CCC3)CC2CCO)cc1
InChIInChI=1S/C18H28N2O/c1-15-5-7-16(8-6-15)13-19-10-11-20(17-3-2-4-17)14-18(19)9-12-21/h5-8,17-18,21H,2-4,9-14H2,1H3
InChIKeyKVIJYQMNLKGLRO-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.42
Rot. Bonds5

About 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol

2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (PubChem CID 23723903) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
PubChem CID23723903
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol
SMILESCc1ccc(CN2CCN(C3CCC3)CC2CCO)cc1
InChIInChI=1S/C18H28N2O/c1-15-5-7-16(8-6-15)13-19-10-11-20(17-3-2-4-17)14-18(19)9-12-21/h5-8,17-18,21H,2-4,9-14H2,1H3
InChIKeyKVIJYQMNLKGLRO-UHFFFAOYSA-N
XLogP2.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1,4-dibenzylpiperazin-2-yl]methanol
CID 9994741
(1-Benzylpiperidin-4-yl)methanol
CID 736802
2-[1-Isobutyl-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16187550
2-[1-Cyclopentyl-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16188937
2-{1-Isobutyl-4-[4-(trifluoromethyl)benzyl]-2-piperazinyl}ethanol
CID 16190721
2-[1-(3-Methyl-2-buten-1-yl)-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 16192433
2-[1-Isopropyl-4-(3-phenylpropyl)-2-piperazinyl]ethanol
CID 23723392
2-[1-(2,2-Dimethylpropyl)-4-(3-phenyl-2-propyn-1-yl)-2-piperazinyl]ethanol
CID 23723601
2-[4-Cyclobutyl-1-(3,4-difluorobenzyl)-2-piperazinyl]ethanol
CID 23723610
2-[4-(2,2-Dimethylpropyl)-1-(3-phenylpropyl)piperazin-2-yl]ethanol
CID 23723636
2-[4-(Cyclopropylmethyl)-1-(2-methylbenzyl)-2-piperazinyl]ethanol
CID 23723706
2-{4-[(2Z)-2-chloro-3-phenyl-2-propen-1-yl]-1-cyclohexyl-2-piperazinyl}ethanol
CID 16190637

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol (CID 23723903) is 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is Cc1ccc(CN2CCN(C3CCC3)CC2CCO)cc1.
What is the InChIKey of 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
The InChIKey is KVIJYQMNLKGLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-5-7-16(8-6-15)13-19-10-11-20(17-3-2-4-17)14-18(19)9-12-21/h5-8,17-18,21H,2-4,9-14H2,1H3.
What are the key properties of 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol?
2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol has a molecular weight of 288.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclobutyl-1-[(4-methylphenyl)methyl]piperazin-2-yl]ethanol is sourced from PubChem (CID 23723903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).