5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine

C15H23NO — CID 106779333

IUPAC5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
SMILESCOc1ccc(CCC2CCC(C)NC2)cc1
InChIInChI=1S/C15H23NO/c1-12-3-4-14(11-16-12)6-5-13-7-9-15(17-2)10-8-13/h7-10,12,14,16H,3-6,11H2,1-2H3
InChIKeyPVFRQENDBIQLER-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.02
Rot. Bonds4

About 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine

5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine (PubChem CID 106779333) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine.

Molecular Properties

Compound Name5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
PubChem CID106779333
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
SMILESCOc1ccc(CCC2CCC(C)NC2)cc1
InChIInChI=1S/C15H23NO/c1-12-3-4-14(11-16-12)6-5-13-7-9-15(17-2)10-8-13/h7-10,12,14,16H,3-6,11H2,1-2H3
InChIKeyPVFRQENDBIQLER-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-(6-methylpiperidin-3-yl)ethyl]pyridine
CID 104823519
2-methyl-5-[2-(6-methylpiperidin-3-yl)ethyl]pyridine
CID 68812776
3-[2-(6-methoxynaphthalen-2-yl)ethyl]pyrrolidine
CID 116925514
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
3-[2-(4-methoxyphenyl)ethyl]cycloheptan-1-amine
CID 65443041
5-[(4-methoxy-2-methylphenyl)methyl]-2-methylpiperidine
CID 104823476
1-(cyclopropylmethyl)-4-methoxybenzene
CID 6422476
N-[(4-methoxyphenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 24700714
3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydroquinoline
CID 106779338
1-[2-[4-[4-[(E)-2-bromoethenyl]cyclohexyl]cyclohexyl]ethyl]-4-methoxybenzene
CID 18656557
2-methoxy-6-[2-(4-propylcyclohexyl)ethyl]naphthalene
CID 139877588
cis-(1R,3R)-3-[2-(4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 11506917

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine?
The IUPAC name of 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine (CID 106779333) is 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine.
What is the SMILES notation for 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine?
The canonical SMILES for 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine is COc1ccc(CCC2CCC(C)NC2)cc1.
What is the InChIKey of 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine?
The InChIKey is PVFRQENDBIQLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12-3-4-14(11-16-12)6-5-13-7-9-15(17-2)10-8-13/h7-10,12,14,16H,3-6,11H2,1-2H3.
What are the key properties of 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine?
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine has a molecular weight of 233.36 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine is sourced from PubChem (CID 106779333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).