1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine

C18H28N2O2 — CID 171282623

IUPAC1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CCOCC2)N2CCNCC2)c(C)c1
InChIInChI=1S/C18H28N2O2/c1-14-13-16(21-2)3-4-17(14)18(15-5-11-22-12-6-15)20-9-7-19-8-10-20/h3-4,13,15,18-19H,5-12H2,1-2H3/t18-/m0/s1
InChIKeyCGZQRPOGDNOKFD-SFHVURJKSA-N
MW304.43 g/mol
LogP2.38
Rot. Bonds4

About 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine

1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine (PubChem CID 171282623) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
PubChem CID171282623
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine
SMILESCOc1ccc([C@H](C2CCOCC2)N2CCNCC2)c(C)c1
InChIInChI=1S/C18H28N2O2/c1-14-13-16(21-2)3-4-17(14)18(15-5-11-22-12-6-15)20-9-7-19-8-10-20/h3-4,13,15,18-19H,5-12H2,1-2H3/t18-/m0/s1
InChIKeyCGZQRPOGDNOKFD-SFHVURJKSA-N
XLogP2.38
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)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)-cyclopropyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171295234
1-[(S)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171274767
1-[(S)-cyclobutyl-(4-methoxy-2-methylphenyl)methyl]piperazine;dihydrochloride
CID 171282616
4-methoxy-2-[(S)-oxan-4-yl(piperazin-1-yl)methyl]phenol;dihydrochloride
CID 171275905
1-[(R)-(2-bromo-5-methoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171290128
1-[(S)-[2-methoxy-4-(trifluoromethoxy)phenyl]-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171284354
1-[(R)-(3,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171286306
1-[(S)-(3,5-dimethoxyphenyl)-(oxan-4-yl)methyl]piperazine;dihydrochloride
CID 171273678
1-[(R)-oxan-4-yl-(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 171286451
1-[(S)-cyclohexyl-(2,4-dimethoxyphenyl)methyl]piperazine
CID 171274762
2-bromo-4-methoxy-6-[(R)-oxan-4-yl(piperazin-1-yl)methyl]phenol
CID 171301218
1-[(S)-(2,3-difluoro-4-methylphenyl)-(oxan-4-yl)methyl]piperazine
CID 171280426

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine?
The IUPAC name of 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine (CID 171282623) is 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine.
What is the SMILES notation for 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine?
The canonical SMILES for 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine is COc1ccc([C@H](C2CCOCC2)N2CCNCC2)c(C)c1.
What is the InChIKey of 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine?
The InChIKey is CGZQRPOGDNOKFD-SFHVURJKSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-14-13-16(21-2)3-4-17(14)18(15-5-11-22-12-6-15)20-9-7-19-8-10-20/h3-4,13,15,18-19H,5-12H2,1-2H3/t18-/m0/s1.
What are the key properties of 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine?
1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine has a molecular weight of 304.43 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(4-methoxy-2-methylphenyl)-(oxan-4-yl)methyl]piperazine is sourced from PubChem (CID 171282623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).