1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine

C16H24N2O — CID 82301889

IUPAC1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O/c1-19-15-7-5-14(6-8-15)16(13-3-2-4-13)18-11-9-17-10-12-18/h5-8,13,16-17H,2-4,9-12H2,1H3
InChIKeyHSCIOMMBFTYPBA-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.44
Rot. Bonds4

About 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine

1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine (PubChem CID 82301889) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
PubChem CID82301889
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine
SMILESCOc1ccc(C(C2CCC2)N2CCNCC2)cc1
InChIInChI=1S/C16H24N2O/c1-19-15-7-5-14(6-8-15)16(13-3-2-4-13)18-11-9-17-10-12-18/h5-8,13,16-17H,2-4,9-12H2,1H3
InChIKeyHSCIOMMBFTYPBA-UHFFFAOYSA-N
XLogP2.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(R)-cyclopentyl-(4-methoxyphenyl)methyl]piperazine
CID 95477353
1-[(R)-cyclobutyl-(3,5-dimethoxyphenyl)methyl]piperazine
CID 171286297
1-[(R)-cyclobutyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;hydrochloride
CID 171176375
1-[(R)-cyclobutyl-(4-ethoxyphenyl)methyl]piperazine;dihydrochloride
CID 171287093
1-[(S)-cyclobutyl-(4-phenoxyphenyl)methyl]piperazine
CID 171279707
1-[(S)-cyclobutyl-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171180074
1-[(S)-cyclopropyl-(4-propan-2-yloxyphenyl)methyl]piperazine
CID 95477475
1-[(S)-(4-tert-butylphenyl)-cyclobutylmethyl]piperazine
CID 95488327
4-[(R)-cyclobutyl(piperazin-1-yl)methyl]phenol
CID 171285182
1-[(R)-cyclohexyl-[4-(difluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171290876
1-[cyclobutyl(phenyl)methyl]piperazine
CID 82288990
1-[(R)-cyclopropyl-[4-(difluoromethoxy)phenyl]methyl]piperazine
CID 171290872

Frequently Asked Questions

What is the IUPAC name of 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine (CID 82301889) is 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine is COc1ccc(C(C2CCC2)N2CCNCC2)cc1.
What is the InChIKey of 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine?
The InChIKey is HSCIOMMBFTYPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-15-7-5-14(6-8-15)16(13-3-2-4-13)18-11-9-17-10-12-18/h5-8,13,16-17H,2-4,9-12H2,1H3.
What are the key properties of 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine?
1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine has a molecular weight of 260.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclobutyl-(4-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 82301889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).