4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine

C17H26N2O — CID 69237762

IUPAC4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine
SMILESCOc1ccccc1C1CCN([C@@H]2CCNC2C)CC1
InChIInChI=1S/C17H26N2O/c1-13-16(7-10-18-13)19-11-8-14(9-12-19)15-5-3-4-6-17(15)20-2/h3-6,13-14,16,18H,7-12H2,1-2H3/t13?,16-/m1/s1
InChIKeyVITPJWICOSYRHG-FQNRMIAFSA-N
MW274.41 g/mol
LogP2.62
Rot. Bonds3

About 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine

4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine (PubChem CID 69237762) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine
PubChem CID69237762
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine
SMILESCOc1ccccc1C1CCN([C@@H]2CCNC2C)CC1
InChIInChI=1S/C17H26N2O/c1-13-16(7-10-18-13)19-11-8-14(9-12-19)15-5-3-4-6-17(15)20-2/h3-6,13-14,16,18H,7-12H2,1-2H3/t13?,16-/m1/s1
InChIKeyVITPJWICOSYRHG-FQNRMIAFSA-N
XLogP2.62
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 154170969
4-(2-methoxyphenyl)piperidine
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CID 144769798
1-cyclopentyl-3-(2-methoxyphenyl)pyrrolidine
CID 86814277
(2R)-2-(2-methoxyphenyl)azetidine
CID 92670019
1-(3,4-diphenylcyclopentyl)-4-(2-methoxyphenyl)piperidine
CID 58772022
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CID 58772449
4-(2-methoxyphenyl)-1-propylpiperidine
CID 71653734
(2S)-2-[(3R)-2-cyclopropyl-3-[4-(2-methoxyphenyl)piperidin-1-yl]pyrrolidin-1-yl]-2-phenylethanol
CID 59764970
1-cyclohexyl-4-[4-(2-methoxyphenyl)cyclohexyl]piperazine;ethane
CID 143500480
4-(2-methoxyphenyl)oxane
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CID 66224677

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine?
The IUPAC name of 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine (CID 69237762) is 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine.
What is the SMILES notation for 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine?
The canonical SMILES for 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine is COc1ccccc1C1CCN([C@@H]2CCNC2C)CC1.
What is the InChIKey of 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine?
The InChIKey is VITPJWICOSYRHG-FQNRMIAFSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-16(7-10-18-13)19-11-8-14(9-12-19)15-5-3-4-6-17(15)20-2/h3-6,13-14,16,18H,7-12H2,1-2H3/t13?,16-/m1/s1.
What are the key properties of 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine?
4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine has a molecular weight of 274.41 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-1-[(3R)-2-methylpyrrolidin-3-yl]piperidine is sourced from PubChem (CID 69237762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).