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

C16H24N2O — CID 117022776

IUPAC4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine
SMILESCOc1ccccc1N1CCC(C2CCNCC2)C1
InChIInChI=1S/C16H24N2O/c1-19-16-5-3-2-4-15(16)18-11-8-14(12-18)13-6-9-17-10-7-13/h2-5,13-14,17H,6-12H2,1H3
InChIKeyZYRSAVFCRIROME-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.52
Rot. Bonds3

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

4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine (PubChem CID 117022776) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine.

Molecular Properties

Compound Name4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine
PubChem CID117022776
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine
SMILESCOc1ccccc1N1CCC(C2CCNCC2)C1
InChIInChI=1S/C16H24N2O/c1-19-16-5-3-2-4-15(16)18-11-8-14(12-18)13-6-9-17-10-7-13/h2-5,13-14,17H,6-12H2,1H3
InChIKeyZYRSAVFCRIROME-UHFFFAOYSA-N
XLogP2.52
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3aR,6aS)-5-(2-methoxyphenyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
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1-[1-(2-methoxyphenyl)pyrrolidin-3-yl]ethanamine
CID 83981947
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
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1-(2-methoxyphenyl)piperidin-4-amine
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CID 79930320
4-(2-methoxyphenyl)piperidine
CID 544738
(3S,5R)-1-(2-methoxyphenyl)-3,5-dimethylpiperidine
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3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]-3-azabicyclo[3.2.2]nonane
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1-(2-methoxyphenyl)-N,N-dimethylazetidin-3-amine
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3-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexan-6-amine
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CID 59648018

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine?
The IUPAC name of 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine (CID 117022776) is 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine.
What is the SMILES notation for 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine?
The canonical SMILES for 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine is COc1ccccc1N1CCC(C2CCNCC2)C1.
What is the InChIKey of 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine?
The InChIKey is ZYRSAVFCRIROME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-19-16-5-3-2-4-15(16)18-11-8-14(12-18)13-6-9-17-10-7-13/h2-5,13-14,17H,6-12H2,1H3.
What are the key properties of 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine?
4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine has a molecular weight of 260.38 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-methoxyphenyl)pyrrolidin-3-yl]piperidine is sourced from PubChem (CID 117022776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).