1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one

C17H24N2O2 — CID 75396630

IUPAC1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2cccc(O)c2)CC1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-16-3-1-2-14(12-16)13-19-10-8-18(9-11-19)7-6-17(21)15-4-5-15/h1-3,12,15,20H,4-11,13H2
InChIKeyRNHIMZJCECASNA-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.88
Rot. Bonds6

About 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one

1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 75396630) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID75396630
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESO=C(CCN1CCN(Cc2cccc(O)c2)CC1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-16-3-1-2-14(12-16)13-19-10-8-18(9-11-19)7-6-17(21)15-4-5-15/h1-3,12,15,20H,4-11,13H2
InChIKeyRNHIMZJCECASNA-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
3-[[4-(2-bromoethyl)piperazin-1-yl]methyl]phenol
CID 80673903
4-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]butanenitrile
CID 71866270
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 10271980
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
2-cyclopropyl-1-[4-[(3-hydroxyphenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 138806824
3-[[4-(furan-2-ylmethyl)piperazin-1-yl]methyl]phenol
CID 166193246
1-[1-[(3-methylphenyl)methyl]piperidin-4-yl]propan-1-one
CID 83983411
3-[(3-aminopyrrolidin-1-yl)methyl]phenol
CID 22966382
2-hydroxy-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 71922355
2-(1,4-dimethylpiperazin-2-yl)-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]ethanone
CID 74230901

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one (CID 75396630) is 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one is O=C(CCN1CCN(Cc2cccc(O)c2)CC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is RNHIMZJCECASNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-16-3-1-2-14(12-16)13-19-10-8-18(9-11-19)7-6-17(21)15-4-5-15/h1-3,12,15,20H,4-11,13H2.
What are the key properties of 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one?
1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 288.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 75396630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).