(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine

C17H27NO — CID 783211

IUPAC(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
SMILESCC[C@@H]1CCCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C17H27NO/c1-5-16-8-6-7-11-18(16)12-15-9-10-17(19-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3/t16-/m1/s1
InChIKeyKVBAQYHCSLBGOU-MRXNPFEDSA-N
MW261.41 g/mol
LogP4.08
Rot. Bonds4

About (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine

(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine (PubChem CID 783211) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
PubChem CID783211
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine
SMILESCC[C@@H]1CCCCN1Cc1ccc(OC)c(C)c1C
InChIInChI=1S/C17H27NO/c1-5-16-8-6-7-11-18(16)12-15-9-10-17(19-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3/t16-/m1/s1
InChIKeyKVBAQYHCSLBGOU-MRXNPFEDSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R)-2-ethyl-1-[(4-methoxy-2,3-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

ethyl 1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine-2-carboxylate
CID 2838370
1-[(4-methoxy-2,3-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3998216
1-[(2-chloro-3,4-dimethoxyphenyl)methyl]-2-(2-methoxyethyl)piperidine
CID 77096973
3-methoxy-4-[(2-propylpiperidin-1-yl)methyl]aniline
CID 107208527
N-[[4-[(2-ethylpiperidin-1-yl)methyl]-2-methoxyphenyl]methyl]propan-2-amine
CID 84745826
ethyl 1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidine-2-carboxylate
CID 2838021
2-ethyl-1-[(3-fluoro-2-methylphenyl)methyl]pyrrolidine
CID 11401773
3-(3,4-dimethoxyphenyl)-5-[(2-ethylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 51223514
1-[(3-bromo-4-methoxyphenyl)methyl]-2-ethylpyrrolidine
CID 54971394
2-[(2R)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(2-methylpropyl)piperazin-2-yl]ethanol
CID 98575533
1-[4-methoxy-3-[(2-propylpiperidin-1-yl)methyl]phenyl]-N-methylmethanamine
CID 83053445
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The IUPAC name of (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine (CID 783211) is (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The canonical SMILES for (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine is CC[C@@H]1CCCCN1Cc1ccc(OC)c(C)c1C.
What is the InChIKey of (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
The InChIKey is KVBAQYHCSLBGOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H27NO/c1-5-16-8-6-7-11-18(16)12-15-9-10-17(19-4)14(3)13(15)2/h9-10,16H,5-8,11-12H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine?
(2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine has a molecular weight of 261.41 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-ethyl-1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 783211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).