(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine

C16H25NO — CID 2181992

IUPAC(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
SMILESCc1ccc(OCCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H25NO/c1-14-6-8-16(9-7-14)18-12-4-11-17-10-3-5-15(2)13-17/h6-9,15H,3-5,10-13H2,1-2H3/t15-/m1/s1
InChIKeyYKLDEHREGBUFKH-OAHLLOKOSA-N
MW247.38 g/mol
LogP3.50
Rot. Bonds5

About (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine

(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine (PubChem CID 2181992) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
PubChem CID2181992
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
SMILESCc1ccc(OCCCN2CCC[C@@H](C)C2)cc1
InChIInChI=1S/C16H25NO/c1-14-6-8-16(9-7-14)18-12-4-11-17-10-3-5-15(2)13-17/h6-9,15H,3-5,10-13H2,1-2H3/t15-/m1/s1
InChIKeyYKLDEHREGBUFKH-OAHLLOKOSA-N
XLogP3.50
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3R)-3-methyl-1-[3-(4-methylphenoxy)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

4-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-1-oxidopyridin-1-ium
CID 23150293
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]-1-oxidopyridin-1-ium;molecular chlorine
CID 159763273
(3S)-3-methyl-1-[2-(4-propoxyphenoxy)ethyl]piperidine
CID 2182296
4-[4-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]cyclohexan-1-amine
CID 143322433
1-ethyl-5-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67282721
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]aniline
CID 40788770
3-methyl-1-[3-(3-methyl-4-nitrophenoxy)propyl]piperidine
CID 2935046
1-(4-methylphenyl)-N-[4-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]cyclopentane-1-carboxamide
CID 133179633
(3S,5S)-3,5-dimethyl-1-[3-[4-(4-methylphenyl)phenoxy]propyl]piperidine
CID 11979093

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine (CID 2181992) is (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine is Cc1ccc(OCCCN2CCC[C@@H](C)C2)cc1.
What is the InChIKey of (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
The InChIKey is YKLDEHREGBUFKH-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H25NO/c1-14-6-8-16(9-7-14)18-12-4-11-17-10-3-5-15(2)13-17/h6-9,15H,3-5,10-13H2,1-2H3/t15-/m1/s1.
What are the key properties of (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine?
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine has a molecular weight of 247.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine is sourced from PubChem (CID 2181992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).