(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone

C15H22N2O2 — CID 55116787

IUPAC(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCCC(C)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12(2)16-7-9-17(10-8-16)15(19)13-5-4-6-14(18)11-13/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyGCBHSNHITUTLFG-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.95
Rot. Bonds3

About (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone

(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone (PubChem CID 55116787) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
PubChem CID55116787
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
SMILESCCC(C)N1CCN(C(=O)c2cccc(O)c2)CC1
InChIInChI=1S/C15H22N2O2/c1-3-12(2)16-7-9-17(10-8-16)15(19)13-5-4-6-14(18)11-13/h4-6,11-12,18H,3,7-10H2,1-2H3
InChIKeyGCBHSNHITUTLFG-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-butan-2-ylpiperazin-1-yl)-(3,4-dihydroxyphenyl)methanone
CID 107728492
[4-[(1S)-1-(3-fluorophenyl)ethyl]piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 95785638
(4-ethylsulfonylpiperazin-1-yl)-(3-hydroxyphenyl)methanone
CID 108570193
[4-(3-bromobenzoyl)piperazin-1-yl]-(3-hydroxyphenyl)methanone
CID 52859810
(4-butan-2-ylpiperazin-1-yl)-(2,3-dihydroxyphenyl)methanone
CID 114344300
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451
(2-amino-4-pyridinyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62776991
(3-amino-4-fluorophenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62773614
(4-butan-2-ylpiperazin-1-yl)-(4-tert-butylphenyl)methanone
CID 113072939
4-(3-hydroxybenzoyl)-N-[(2R)-3-methylbutan-2-yl]piperazine-1-carboxamide
CID 95156330
[4-(1-aminopropan-2-yl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 63337612
(3-bromo-4-methoxyphenyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62778016

Frequently Asked Questions

What is the IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
The IUPAC name of (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone (CID 55116787) is (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone.
What is the SMILES notation for (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
The canonical SMILES for (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone is CCC(C)N1CCN(C(=O)c2cccc(O)c2)CC1.
What is the InChIKey of (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
The InChIKey is GCBHSNHITUTLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-12(2)16-7-9-17(10-8-16)15(19)13-5-4-6-14(18)11-13/h4-6,11-12,18H,3,7-10H2,1-2H3.
What are the key properties of (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone?
(4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone has a molecular weight of 262.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butan-2-ylpiperazin-1-yl)-(3-hydroxyphenyl)methanone is sourced from PubChem (CID 55116787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).