2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine

C17H26N2O2 — CID 117469530

IUPAC2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
SMILESCOc1ccc(C2CCCCN2)cc1OC1CCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-10-8-14(12-19)21-17-11-13(6-7-16(17)20-2)15-5-3-4-9-18-15/h6-7,11,14-15,18H,3-5,8-10,12H2,1-2H3
InChIKeyOWKZAMUICUWMMN-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.59
Rot. Bonds4

About 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine

2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine (PubChem CID 117469530) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine.

Molecular Properties

Compound Name2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
PubChem CID117469530
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine
SMILESCOc1ccc(C2CCCCN2)cc1OC1CCN(C)C1
InChIInChI=1S/C17H26N2O2/c1-19-10-8-14(12-19)21-17-11-13(6-7-16(17)20-2)15-5-3-4-9-18-15/h6-7,11,14-15,18H,3-5,8-10,12H2,1-2H3
InChIKeyOWKZAMUICUWMMN-UHFFFAOYSA-N
XLogP2.59
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxy-4-piperidin-2-ylphenoxy)-1-methylpiperidine
CID 117489913
3-(2-chloro-4-pyrrolidin-2-ylphenoxy)-1-methylpyrrolidine
CID 117450926
2-(4-cyclopentyloxy-3-methoxyphenyl)piperidine
CID 117440861
2-[4-methoxy-3-(thian-4-yloxy)phenyl]piperidine
CID 117492466
(2S)-2-(3,4-dimethoxyphenyl)piperidine;hydrochloride
CID 171194815
3-(2-methoxy-5-piperidin-4-ylphenoxy)-1-methylpiperidine
CID 117489897
2-[[3-methoxy-4-(1-methylpyrrolidin-3-yl)oxyphenyl]methyl]piperidine
CID 117489930
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
(2R)-2-(4-methoxy-3-phenylmethoxyphenyl)piperidine
CID 171195670
2-[3-chloro-4-(1-methylpyrrolidin-3-yl)phenyl]piperidine
CID 117447151
[2-methoxy-4-[(2S)-piperidin-2-yl]phenyl] acetate;hydrochloride
CID 171195107
2-(4-methoxy-3-propan-2-ylphenyl)pyrrolidine
CID 82158685

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine?
The IUPAC name of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine (CID 117469530) is 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine.
What is the SMILES notation for 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine?
The canonical SMILES for 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine is COc1ccc(C2CCCCN2)cc1OC1CCN(C)C1.
What is the InChIKey of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine?
The InChIKey is OWKZAMUICUWMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-19-10-8-14(12-19)21-17-11-13(6-7-16(17)20-2)15-5-3-4-9-18-15/h6-7,11,14-15,18H,3-5,8-10,12H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine?
2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine has a molecular weight of 290.41 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(1-methylpyrrolidin-3-yl)oxyphenyl]piperidine is sourced from PubChem (CID 117469530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).