1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine

C18H28N2O — CID 60978163

IUPAC1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCOc1ccccc1C(C)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C18H28N2O/c1-14(16-8-3-4-10-18(16)21-2)20-12-6-7-15(13-20)17-9-5-11-19-17/h3-4,8,10,14-15,17,19H,5-7,9,11-13H2,1-2H3
InChIKeyMFXCDMKTWSQOJD-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.22
Rot. Bonds4

About 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine

1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine (PubChem CID 60978163) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine.

Molecular Properties

Compound Name1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
PubChem CID60978163
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine
SMILESCOc1ccccc1C(C)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C18H28N2O/c1-14(16-8-3-4-10-18(16)21-2)20-12-6-7-15(13-20)17-9-5-11-19-17/h3-4,8,10,14-15,17,19H,5-7,9,11-13H2,1-2H3
InChIKeyMFXCDMKTWSQOJD-UHFFFAOYSA-N
XLogP3.22
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The IUPAC name of 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine (CID 60978163) is 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine.
What is the SMILES notation for 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The canonical SMILES for 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine is COc1ccccc1C(C)N1CCCC(C2CCCN2)C1.
What is the InChIKey of 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
The InChIKey is MFXCDMKTWSQOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(16-8-3-4-10-18(16)21-2)20-12-6-7-15(13-20)17-9-5-11-19-17/h3-4,8,10,14-15,17,19H,5-7,9,11-13H2,1-2H3.
What are the key properties of 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine?
1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine has a molecular weight of 288.44 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyphenyl)ethyl]-3-pyrrolidin-2-ylpiperidine is sourced from PubChem (CID 60978163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).