1-[4-(3-methoxyphenyl)butyl]piperazine

C15H24N2O — CID 94267853

IUPAC1-[4-(3-methoxyphenyl)butyl]piperazine
SMILESCOc1cccc(CCCCN2CCNCC2)c1
InChIInChI=1S/C15H24N2O/c1-18-15-7-4-6-14(13-15)5-2-3-10-17-11-8-16-9-12-17/h4,6-7,13,16H,2-3,5,8-12H2,1H3
InChIKeyULQQCOJWWJNIOO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.92
Rot. Bonds6

About 1-[4-(3-methoxyphenyl)butyl]piperazine

1-[4-(3-methoxyphenyl)butyl]piperazine (PubChem CID 94267853) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-[4-(3-methoxyphenyl)butyl]piperazine.

Molecular Properties

Compound Name1-[4-(3-methoxyphenyl)butyl]piperazine
PubChem CID94267853
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name1-[4-(3-methoxyphenyl)butyl]piperazine
SMILESCOc1cccc(CCCCN2CCNCC2)c1
InChIInChI=1S/C15H24N2O/c1-18-15-7-4-6-14(13-15)5-2-3-10-17-11-8-16-9-12-17/h4,6-7,13,16H,2-3,5,8-12H2,1H3
InChIKeyULQQCOJWWJNIOO-UHFFFAOYSA-N
XLogP1.92
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.92
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

3-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119393865
1-[3-(3-methoxyphenyl)propyl]-4-methylpiperazine
CID 170862318
1-[2-(3-methoxyphenyl)ethyl]-3-(2-piperazin-1-ylethyl)urea
CID 108900946
1-(3-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)methanesulfonamide
CID 119994792
4-[3-(3-methoxyphenyl)propyl]morpholine
CID 91901626
1-[4-(3-chlorophenyl)butyl]piperazine
CID 83924570
1-[4-[3-(3-methoxyphenyl)propyl]piperazin-1-yl]propan-1-one
CID 110358226
1-(3-methoxyphenyl)-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 119966269
1-[4-(2-ethyl-4-methoxyphenyl)butyl]piperazine
CID 83941550
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-[(Z)-4-(3-methoxyphenyl)but-2-enyl]piperazine
CID 117269337

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxyphenyl)butyl]piperazine?
The IUPAC name of 1-[4-(3-methoxyphenyl)butyl]piperazine (CID 94267853) is 1-[4-(3-methoxyphenyl)butyl]piperazine.
What is the SMILES notation for 1-[4-(3-methoxyphenyl)butyl]piperazine?
The canonical SMILES for 1-[4-(3-methoxyphenyl)butyl]piperazine is COc1cccc(CCCCN2CCNCC2)c1.
What is the InChIKey of 1-[4-(3-methoxyphenyl)butyl]piperazine?
The InChIKey is ULQQCOJWWJNIOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-18-15-7-4-6-14(13-15)5-2-3-10-17-11-8-16-9-12-17/h4,6-7,13,16H,2-3,5,8-12H2,1H3.
What are the key properties of 1-[4-(3-methoxyphenyl)butyl]piperazine?
1-[4-(3-methoxyphenyl)butyl]piperazine has a molecular weight of 248.37 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxyphenyl)butyl]piperazine is sourced from PubChem (CID 94267853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).