(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine

C15H23NO — CID 39345701

IUPAC(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(C[C@@H]2CCCNC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-7-14(8-12(2)15(11)17-3)9-13-5-4-6-16-10-13/h7-8,13,16H,4-6,9-10H2,1-3H3/t13-/m0/s1
InChIKeyZESQHEWDOKFKRT-ZDUSSCGKSA-N
MW233.35 g/mol
LogP2.85
Rot. Bonds3

About (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine

(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine (PubChem CID 39345701) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
PubChem CID39345701
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine
SMILESCOc1c(C)cc(C[C@@H]2CCCNC2)cc1C
InChIInChI=1S/C15H23NO/c1-11-7-14(8-12(2)15(11)17-3)9-13-5-4-6-16-10-13/h7-8,13,16H,4-6,9-10H2,1-3H3/t13-/m0/s1
InChIKeyZESQHEWDOKFKRT-ZDUSSCGKSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine 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

3-[(5-fluoro-2-methoxy-3-methylphenyl)methyl]piperidine
CID 84798660
4-methoxy-3,5-dimethyl-N-(piperidin-3-ylmethyl)aniline
CID 115209530
3-[(5-methoxy-2-methylphenyl)methyl]piperidine
CID 84786963
3-[(3,4-dimethoxyphenyl)methyl]piperidine;hydrochloride
CID 17039525
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(5-chloro-3,4-dimethoxy-2-methylphenyl)methyl]piperidine
CID 117456363
3-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]piperidine
CID 117467787
3-[[3-chloro-5-(cyclopropylmethoxy)-4-methoxyphenyl]methyl]piperidine
CID 117494517
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
3-[(3-ethyl-4-methylphenyl)methyl]piperidine
CID 84785651
3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
CID 117335200

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The IUPAC name of (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine (CID 39345701) is (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The canonical SMILES for (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine is COc1c(C)cc(C[C@@H]2CCCNC2)cc1C.
What is the InChIKey of (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine?
The InChIKey is ZESQHEWDOKFKRT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-7-14(8-12(2)15(11)17-3)9-13-5-4-6-16-10-13/h7-8,13,16H,4-6,9-10H2,1-3H3/t13-/m0/s1.
What are the key properties of (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine?
(3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine has a molecular weight of 233.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4-methoxy-3,5-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 39345701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).