(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine

C23H31NO — CID 11979093

IUPAC(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
SMILESCc1ccc(-c2ccc(OCCCN3C[C@@H](C)C[C@H](C)C3)cc2)cc1
InChIInChI=1S/C23H31NO/c1-18-5-7-21(8-6-18)22-9-11-23(12-10-22)25-14-4-13-24-16-19(2)15-20(3)17-24/h5-12,19-20H,4,13-17H2,1-3H3/t19-,20-/m0/s1
InChIKeyJGWDSUVLGQNODW-PMACEKPBSA-N
MW337.51 g/mol
LogP5.41
Rot. Bonds6

About (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine

(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine (PubChem CID 11979093) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine.

Molecular Properties

Compound Name(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
PubChem CID11979093
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
SMILESCc1ccc(-c2ccc(OCCCN3C[C@@H](C)C[C@H](C)C3)cc2)cc1
InChIInChI=1S/C23H31NO/c1-18-5-7-21(8-6-18)22-9-11-23(12-10-22)25-14-4-13-24-16-19(2)15-20(3)17-24/h5-12,19-20H,4,13-17H2,1-3H3/t19-,20-/m0/s1
InChIKeyJGWDSUVLGQNODW-PMACEKPBSA-N
XLogP5.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]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-dimethyl-1-[3-(4-phenylphenoxy)propyl]piperidine
CID 23150265
(3S,5S)-1-[3-(4-ethoxyphenoxy)propyl]-3,5-dimethylpiperidine
CID 2184451
3,5-dimethyl-1-[3-(4-prop-1-en-2-ylphenoxy)propyl]piperidine
CID 23150286
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
(5S)-1-[3-[4-(3,4-dihydro-2H-pyrrol-5-yl)phenoxy]propyl]-3,5-dimethylpiperidine
CID 69108440
methyl 4-[3-(3,5-dimethylpiperidin-1-yl)propoxy]benzoate
CID 23150262
1-[4-[4-[(3S,5S)-3,5-dimethylpiperidin-1-yl]butoxy]phenyl]ethanone
CID 7380050
2,4-dimethyl-1-[2-(4-methylphenoxy)ethyl]pyrrolidine
CID 142818530
(3R,5R)-3,5-dimethyl-1-[3-[4-(2,3,4,5-tetrahydropyridin-6-yl)phenoxy]propyl]piperidine;oxalic acid
CID 162312541
3-fluoro-1-[2-(4-methylphenoxy)ethyl]azetidine
CID 176701641
1-ethyl-4-[3-(4-methylphenoxy)propyl]piperazine
CID 170591311
(3R,5S)-3,5-dimethyl-1-[3-(2,3,5-trimethylphenoxy)propyl]piperidine
CID 2181589

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
The IUPAC name of (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine (CID 11979093) is (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine.
What is the SMILES notation for (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
The canonical SMILES for (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine is Cc1ccc(-c2ccc(OCCCN3C[C@@H](C)C[C@H](C)C3)cc2)cc1.
What is the InChIKey of (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
The InChIKey is JGWDSUVLGQNODW-PMACEKPBSA-N. The full InChI is InChI=1S/C23H31NO/c1-18-5-7-21(8-6-18)22-9-11-23(12-10-22)25-14-4-13-24-16-19(2)15-20(3)17-24/h5-12,19-20H,4,13-17H2,1-3H3/t19-,20-/m0/s1.
What are the key properties of (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine?
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine has a molecular weight of 337.51 g/mol, XLogP of 5.41, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine is sourced from PubChem (CID 11979093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).