2-(4-piperazin-1-ylbutyl)phenol

C14H22N2O — CID 83930504

IUPAC2-(4-piperazin-1-ylbutyl)phenol
SMILESOc1ccccc1CCCCN1CCNCC1
InChIInChI=1S/C14H22N2O/c17-14-7-2-1-5-13(14)6-3-4-10-16-11-8-15-9-12-16/h1-2,5,7,15,17H,3-4,6,8-12H2
InChIKeyGFHIVNQXGHCLJF-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.62
Rot. Bonds5

About 2-(4-piperazin-1-ylbutyl)phenol

2-(4-piperazin-1-ylbutyl)phenol (PubChem CID 83930504) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(4-piperazin-1-ylbutyl)phenol.

Molecular Properties

Compound Name2-(4-piperazin-1-ylbutyl)phenol
PubChem CID83930504
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(4-piperazin-1-ylbutyl)phenol
SMILESOc1ccccc1CCCCN1CCNCC1
InChIInChI=1S/C14H22N2O/c17-14-7-2-1-5-13(14)6-3-4-10-16-11-8-15-9-12-16/h1-2,5,7,15,17H,3-4,6,8-12H2
InChIKeyGFHIVNQXGHCLJF-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-piperazin-1-ylbutyl)benzoic acid
CID 83954010
2-(4-morpholin-4-ylbutyl)phenol
CID 142043469
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
2-(3-piperazin-1-ylpropyl)aniline
CID 82161391
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
2-[2-(piperazin-1-ylmethyl)prop-2-enyl]phenol
CID 117269462
2-(2-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 43443368
1-[3-(2-ethoxyphenyl)propyl]-1,4-diazepane
CID 95468566
4-nonyl-2-(2-piperazin-1-ylethyl)phenol
CID 175375260
N-[2-(2-fluorophenyl)ethyl]-3-piperazin-1-ylpropan-1-amine
CID 115230606
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperazin-1-ylbutyl)phenol?
The IUPAC name of 2-(4-piperazin-1-ylbutyl)phenol (CID 83930504) is 2-(4-piperazin-1-ylbutyl)phenol.
What is the SMILES notation for 2-(4-piperazin-1-ylbutyl)phenol?
The canonical SMILES for 2-(4-piperazin-1-ylbutyl)phenol is Oc1ccccc1CCCCN1CCNCC1.
What is the InChIKey of 2-(4-piperazin-1-ylbutyl)phenol?
The InChIKey is GFHIVNQXGHCLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c17-14-7-2-1-5-13(14)6-3-4-10-16-11-8-15-9-12-16/h1-2,5,7,15,17H,3-4,6,8-12H2.
What are the key properties of 2-(4-piperazin-1-ylbutyl)phenol?
2-(4-piperazin-1-ylbutyl)phenol has a molecular weight of 234.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperazin-1-ylbutyl)phenol is sourced from PubChem (CID 83930504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).