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

C15H22N2O3 — CID 111750501

IUPAC[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCN(CCCCO)CC1
InChIInChI=1S/C15H22N2O3/c18-12-4-3-7-16-8-10-17(11-9-16)15(20)13-5-1-2-6-14(13)19/h1-2,5-6,18-19H,3-4,7-12H2
InChIKeyMRRDENGEOSYZQU-UHFFFAOYSA-N
MW278.35 g/mol
LogP0.92
Rot. Bonds5

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

[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (PubChem CID 111750501) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
PubChem CID111750501
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
SMILESO=C(c1ccccc1O)N1CCN(CCCCO)CC1
InChIInChI=1S/C15H22N2O3/c18-12-4-3-7-16-8-10-17(11-9-16)15(20)13-5-1-2-6-14(13)19/h1-2,5-6,18-19H,3-4,7-12H2
InChIKeyMRRDENGEOSYZQU-UHFFFAOYSA-N
XLogP0.92
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-hydroxypropyl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 82090858
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
(2,4-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43416246
2-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]benzoic acid
CID 107214390
(4-butylpiperazin-1-yl)-(2-fluorophenyl)methanone
CID 113072774
[4-(2-bromobenzoyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone
CID 108534141
(2,3-dihydroxyphenyl)-[4-(3-phenylpropyl)-1,4-diazepan-1-yl]methanone
CID 70764595
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]pentan-1-one
CID 108534806
4-chloro-1-[4-(2-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 108568144
(2-hydroxyphenyl)-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]methanone
CID 31281275
2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]acetonitrile
CID 82179354
2-[2-[4-(2-hydroxyethyl)piperazine-1-carbonyl]phenyl]ethanethioamide
CID 94805632

Frequently Asked Questions

What is the IUPAC name of [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The IUPAC name of [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone (CID 111750501) is [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The canonical SMILES for [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is O=C(c1ccccc1O)N1CCN(CCCCO)CC1.
What is the InChIKey of [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
The InChIKey is MRRDENGEOSYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c18-12-4-3-7-16-8-10-17(11-9-16)15(20)13-5-1-2-6-14(13)19/h1-2,5-6,18-19H,3-4,7-12H2.
What are the key properties of [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone?
[4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone has a molecular weight of 278.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-hydroxybutyl)piperazin-1-yl]-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 111750501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).