3-methyl-4-(3-propan-2-yloxyphenyl)piperidine

C15H23NO — CID 79320306

IUPAC3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
SMILESCC(C)Oc1cccc(C2CCNCC2C)c1
InChIInChI=1S/C15H23NO/c1-11(2)17-14-6-4-5-13(9-14)15-7-8-16-10-12(15)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3
InChIKeyJLHJLXDFTVDJPU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.19
Rot. Bonds3

About 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine

3-methyl-4-(3-propan-2-yloxyphenyl)piperidine (PubChem CID 79320306) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine.

Molecular Properties

Compound Name3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
PubChem CID79320306
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-methyl-4-(3-propan-2-yloxyphenyl)piperidine
SMILESCC(C)Oc1cccc(C2CCNCC2C)c1
InChIInChI=1S/C15H23NO/c1-11(2)17-14-6-4-5-13(9-14)15-7-8-16-10-12(15)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3
InChIKeyJLHJLXDFTVDJPU-UHFFFAOYSA-N
XLogP3.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(3R,4S)-3-methylpiperidin-4-yl]phenyl] acetate
CID 89088959
(3S,4S)-3-methyl-4-[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]piperidine
CID 69227649
(4R)-3-methyl-4-phenylpiperidine
CID 142163683
3-methyl-4-naphthalen-2-ylpiperidine
CID 66277961
2-(3-propan-2-yloxyphenyl)cyclopentan-1-ol
CID 2759478
(3-propan-2-yloxyphenyl)-pyrrolidin-3-ylmethanone
CID 116568364
4-(3-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 114487125
3-[1-(3-methoxyphenoxy)ethyl]pyrrolidine
CID 105477836
4-ethyl-2-(3-propan-2-yloxyphenyl)cyclohexan-1-amine
CID 81014508
5-ethyl-4-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 66108724
methyl 4-(3-methoxyphenyl)piperidine-3-carboxylate;hydrochloride
CID 91798826
4-(4-chloro-3-methoxyphenyl)-3-methylpiperidine
CID 114502183

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine?
The IUPAC name of 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine (CID 79320306) is 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine.
What is the SMILES notation for 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine?
The canonical SMILES for 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine is CC(C)Oc1cccc(C2CCNCC2C)c1.
What is the InChIKey of 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine?
The InChIKey is JLHJLXDFTVDJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11(2)17-14-6-4-5-13(9-14)15-7-8-16-10-12(15)3/h4-6,9,11-12,15-16H,7-8,10H2,1-3H3.
What are the key properties of 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine?
3-methyl-4-(3-propan-2-yloxyphenyl)piperidine has a molecular weight of 233.36 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-propan-2-yloxyphenyl)piperidine is sourced from PubChem (CID 79320306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).