(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone

C17H26N2O2 — CID 10779884

IUPAC(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
SMILESCCCCCCN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-10-18-11-13-19(14-12-18)17(21)15-6-8-16(20)9-7-15/h6-9,20H,2-5,10-14H2,1H3
InChIKeyKWFXXVDISQJEPE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds6

About (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone

(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone (PubChem CID 10779884) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
PubChem CID10779884
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone
SMILESCCCCCCN1CCN(C(=O)c2ccc(O)cc2)CC1
InChIInChI=1S/C17H26N2O2/c1-2-3-4-5-10-18-11-13-19(14-12-18)17(21)15-6-8-16(20)9-7-15/h6-9,20H,2-5,10-14H2,1H3
InChIKeyKWFXXVDISQJEPE-UHFFFAOYSA-N
XLogP2.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(4-hydroxybenzoyl)piperazin-1-yl]butanoate
CID 10781955
(4-hydroxyphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 4740722
[4-(2-bromoethyl)-1,4-diazepan-1-yl]-(4-hydroxyphenyl)methanone
CID 80666145
6-(4-hexylpiperazine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 13195369
hexadecane;4-hydroxybenzoic acid
CID 66671223
4-octylpiperazine-1-carboxylic acid
CID 22047855
4-(4-hexylpiperazin-1-yl)benzoic acid
CID 167523734
1-[4-(4-fluorobenzoyl)piperazin-1-yl]nonan-1-one
CID 78848555
[4-[3-(4-benzoylpiperazin-1-yl)-2-hexoxypropyl]piperazin-1-yl]-phenylmethanone
CID 101339170
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
4-nonylpiperazine-1-carboxamide
CID 13213299

Frequently Asked Questions

What is the IUPAC name of (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone?
The IUPAC name of (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone (CID 10779884) is (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone.
What is the SMILES notation for (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone?
The canonical SMILES for (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone is CCCCCCN1CCN(C(=O)c2ccc(O)cc2)CC1.
What is the InChIKey of (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone?
The InChIKey is KWFXXVDISQJEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-3-4-5-10-18-11-13-19(14-12-18)17(21)15-6-8-16(20)9-7-15/h6-9,20H,2-5,10-14H2,1H3.
What are the key properties of (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone?
(4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone has a molecular weight of 290.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hexylpiperazin-1-yl)-(4-hydroxyphenyl)methanone is sourced from PubChem (CID 10779884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).