(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine

C15H23NO — CID 129394219

IUPAC(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCC[C@@H]1CCCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H23NO/c1-3-13-5-4-10-16(11-13)12-14-6-8-15(17-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3/t13-/m1/s1
InChIKeyRUQJPKURJWKGKI-CYBMUJFWSA-N
MW233.36 g/mol
LogP3.32
Rot. Bonds4

About (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine

(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 129394219) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
PubChem CID129394219
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
SMILESCC[C@@H]1CCCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C15H23NO/c1-3-13-5-4-10-16(11-13)12-14-6-8-15(17-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3/t13-/m1/s1
InChIKeyRUQJPKURJWKGKI-CYBMUJFWSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 23381464
4-[[(3R)-3-ethylpiperidin-1-yl]methyl]-N,N-dimethylaniline
CID 145119279
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
CID 83982822
3-(chloromethyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine
CID 63388374
[2-[(3-ethylpiperidin-1-yl)methyl]-4-methoxyphenyl]boronic acid
CID 65327480
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
N-[[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 55083146

Frequently Asked Questions

What is the IUPAC name of (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine (CID 129394219) is (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine is CC[C@@H]1CCCN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is RUQJPKURJWKGKI-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-13-5-4-10-16(11-13)12-14-6-8-15(17-2)9-7-14/h6-9,13H,3-5,10-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine?
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine has a molecular weight of 233.36 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 129394219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).