(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine

C14H21NO — CID 22856997

IUPAC(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
SMILESCCN1CCC[C@@H](c2cccc(OC)c2)C1
InChIInChI=1S/C14H21NO/c1-3-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyUZZHTUMWBQQQLO-CYBMUJFWSA-N
MW219.33 g/mol
LogP2.89
Rot. Bonds3

About (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine

(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine (PubChem CID 22856997) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
PubChem CID22856997
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine
SMILESCCN1CCC[C@@H](c2cccc(OC)c2)C1
InChIInChI=1S/C14H21NO/c1-3-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3/t13-/m1/s1
InChIKeyUZZHTUMWBQQQLO-CYBMUJFWSA-N
XLogP2.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-ethyl-3-(3-methoxyphenyl)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

1-[(3R)-3-(3-methoxyphenyl)piperidin-1-yl]propan-1-one
CID 10753027
(3S)-3-(3-methoxyphenyl)-1-(3-phenylpropyl)piperidine
CID 54564163
3-(3-methoxyphenyl)-N-methylpiperidin-1-amine
CID 139493045
methyl 3-[(3S)-1-ethylpiperidin-3-yl]benzoate
CID 22856993
(2S)-1-ethyl-2-(3-methoxyphenyl)pyrrolidine
CID 95154091
(2R)-4-[3-(3-methoxyphenyl)piperidin-1-yl]-1-(2,4,5-trifluorophenyl)butan-2-amine
CID 24994617
3-[(3R)-1-[2-(3-methoxyphenoxy)ethyl]piperidin-3-yl]benzoic acid
CID 97187424
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
3-[3-[3-(3-methoxyphenyl)piperidin-1-yl]propyl]-1H-indole
CID 70046463
4-(3-methoxyphenyl)-1-methylpiperidine
CID 3030189
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]piperidin-3-amine
CID 61171340
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine?
The IUPAC name of (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine (CID 22856997) is (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine.
What is the SMILES notation for (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine?
The canonical SMILES for (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine is CCN1CCC[C@@H](c2cccc(OC)c2)C1.
What is the InChIKey of (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine?
The InChIKey is UZZHTUMWBQQQLO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-15-9-5-7-13(11-15)12-6-4-8-14(10-12)16-2/h4,6,8,10,13H,3,5,7,9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine?
(3S)-1-ethyl-3-(3-methoxyphenyl)piperidine has a molecular weight of 219.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(3-methoxyphenyl)piperidine is sourced from PubChem (CID 22856997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).