(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine

C16H25NO — CID 18393824

IUPAC(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
SMILESCCN1CC[C@](C)(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C16H25NO/c1-5-17-10-9-16(3,13(2)12-17)14-7-6-8-15(11-14)18-4/h6-8,11,13H,5,9-10,12H2,1-4H3/t13-,16-/m0/s1
InChIKeyXIAOLHYHQIQMRP-BBRMVZONSA-N
MW247.38 g/mol
LogP3.31
Rot. Bonds3

About (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine

(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine (PubChem CID 18393824) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine.

Molecular Properties

Compound Name(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
PubChem CID18393824
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
SMILESCCN1CC[C@](C)(c2cccc(OC)c2)[C@@H](C)C1
InChIInChI=1S/C16H25NO/c1-5-17-10-9-16(3,13(2)12-17)14-7-6-8-15(11-14)18-4/h6-8,11,13H,5,9-10,12H2,1-4H3/t13-,16-/m0/s1
InChIKeyXIAOLHYHQIQMRP-BBRMVZONSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,4R)-1-(furan-2-ylmethyl)-4-(3-methoxyphenyl)-3,4-dimethylpiperidine
CID 10017636
(4aR,8aS)-2-ethyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-one
CID 10827156
N-[2-ethyl-4a-(3-methoxyphenyl)-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-ylidene]hydroxylamine
CID 173255560
(3R,4R)-4-(3-methoxyphenyl)-3-methyl-1-prop-2-enyl-4-propylpiperidine;hydrobromide
CID 70588527
(4aS,8aR)-2-ethyl-4a-(3-methoxyphenyl)-6-phenyl-3,4,5,7,8,8a-hexahydro-1H-isoquinolin-6-ol
CID 86754625
3-[(3R,4R)-3,4-dimethyl-1-pentylpiperidin-4-yl]phenol
CID 10423544
(3R)-7-hydroxy-N-[(2S,3S)-1-[(3R,4S)-4-(3-methoxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylpentan-2-yl]-3-methyl-2,4-dihydro-1H-isoquinoline-3-carboxamide
CID 53339293
2-[3-[(3R,4S)-1-benzyl-3,4-dimethylpiperidin-4-yl]phenoxy]-2-methylpropanamide
CID 22966008
[3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]phenyl] 2-aminobenzoate
CID 21017816
3-[(3R,4S)-1-heptyl-3,4-dimethylpiperidin-4-yl]phenol;hydrochloride
CID 18637251
methyl 3-(1-benzyl-3,4-dimethylpiperidin-4-yl)benzoate
CID 22645405
3-[(3R,4S)-1-hexyl-3,4-dimethylpiperidin-4-yl]-N-methylaniline
CID 21356011

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
The IUPAC name of (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine (CID 18393824) is (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine.
What is the SMILES notation for (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
The canonical SMILES for (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine is CCN1CC[C@](C)(c2cccc(OC)c2)[C@@H](C)C1.
What is the InChIKey of (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
The InChIKey is XIAOLHYHQIQMRP-BBRMVZONSA-N. The full InChI is InChI=1S/C16H25NO/c1-5-17-10-9-16(3,13(2)12-17)14-7-6-8-15(11-14)18-4/h6-8,11,13H,5,9-10,12H2,1-4H3/t13-,16-/m0/s1.
What are the key properties of (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine?
(3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-ethyl-4-(3-methoxyphenyl)-3,4-dimethylpiperidine is sourced from PubChem (CID 18393824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).