[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone

C22H26N2O2 — CID 126792256

IUPAC[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC1
InChIInChI=1S/C22H26N2O2/c1-17-5-2-3-8-20(17)22(9-10-22)21(26)24-13-11-23(12-14-24)16-18-6-4-7-19(25)15-18/h2-8,15,25H,9-14,16H2,1H3
InChIKeyLPVBRVKTUBFXCZ-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.08
Rot. Bonds4

About [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone

[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone (PubChem CID 126792256) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
PubChem CID126792256
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone
SMILESCc1ccccc1C1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC1
InChIInChI=1S/C22H26N2O2/c1-17-5-2-3-8-20(17)22(9-10-22)21(26)24-13-11-23(12-14-24)16-18-6-4-7-19(25)15-18/h2-8,15,25H,9-14,16H2,1H3
InChIKeyLPVBRVKTUBFXCZ-UHFFFAOYSA-N
XLogP3.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone with MolForge

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Related Compounds

4-[4-[(3-hydroxyphenyl)methyl]piperazine-1-carbonyl]-4-methylcyclohexan-1-one
CID 128556874
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
3-[(3,3-dimethylpyrrolidin-1-yl)methyl]phenol
CID 82983068
1-[(3S)-3-hydroxy-3-[4-[(3-methylphenyl)methyl]piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 129486667
4-[(3-hydroxyphenyl)methyl]-N-methylpiperazine-1-carbothioamide
CID 100570111
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
[1-(3-methylphenyl)cyclopropyl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 56818478
[4-(aminomethyl)oxan-4-yl]-[4-[(3-methylphenyl)methyl]piperazin-1-yl]methanone;dihydrochloride
CID 120938039
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
(1-aminocyclopentyl)-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]methanone
CID 119832653

Frequently Asked Questions

What is the IUPAC name of [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
The IUPAC name of [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone (CID 126792256) is [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone.
What is the SMILES notation for [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
The canonical SMILES for [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone is Cc1ccccc1C1(C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC1.
What is the InChIKey of [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
The InChIKey is LPVBRVKTUBFXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-5-2-3-8-20(17)22(9-10-22)21(26)24-13-11-23(12-14-24)16-18-6-4-7-19(25)15-18/h2-8,15,25H,9-14,16H2,1H3.
What are the key properties of [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone?
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone has a molecular weight of 350.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(2-methylphenyl)cyclopropyl]methanone is sourced from PubChem (CID 126792256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).