4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine

C17H26N2O — CID 103534759

IUPAC4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine
SMILESCOC1CCN(CC2(c3ccccc3)CCNCC2)C1
InChIInChI=1S/C17H26N2O/c1-20-16-7-12-19(13-16)14-17(8-10-18-11-9-17)15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyOTXXSGGVOJQQRP-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.03
Rot. Bonds4

About 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine

4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine (PubChem CID 103534759) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine.

Molecular Properties

Compound Name4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine
PubChem CID103534759
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine
SMILESCOC1CCN(CC2(c3ccccc3)CCNCC2)C1
InChIInChI=1S/C17H26N2O/c1-20-16-7-12-19(13-16)14-17(8-10-18-11-9-17)15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3
InChIKeyOTXXSGGVOJQQRP-UHFFFAOYSA-N
XLogP2.03
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine?
The IUPAC name of 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine (CID 103534759) is 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine.
What is the SMILES notation for 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine?
The canonical SMILES for 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine is COC1CCN(CC2(c3ccccc3)CCNCC2)C1.
What is the InChIKey of 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine?
The InChIKey is OTXXSGGVOJQQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-20-16-7-12-19(13-16)14-17(8-10-18-11-9-17)15-5-3-2-4-6-15/h2-6,16,18H,7-14H2,1H3.
What are the key properties of 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine?
4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine has a molecular weight of 274.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxypyrrolidin-1-yl)methyl]-4-phenylpiperidine is sourced from PubChem (CID 103534759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).