1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine

C18H28N2O — CID 11129974

IUPAC1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine
SMILESCOc1ccccc1CN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C18H28N2O/c1-21-18-5-3-2-4-17(18)14-20-12-8-16(9-13-20)15-6-10-19-11-7-15/h2-5,15-16,19H,6-14H2,1H3
InChIKeyFRRZPZBBNJYGBE-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine

1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine (PubChem CID 11129974) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine
PubChem CID11129974
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine
SMILESCOc1ccccc1CN1CCC(C2CCNCC2)CC1
InChIInChI=1S/C18H28N2O/c1-21-18-5-3-2-4-17(18)14-20-12-8-16(9-13-20)15-6-10-19-11-7-15/h2-5,15-16,19H,6-14H2,1H3
InChIKeyFRRZPZBBNJYGBE-UHFFFAOYSA-N
XLogP2.91
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine (CID 11129974) is 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine is COc1ccccc1CN1CCC(C2CCNCC2)CC1.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine?
The InChIKey is FRRZPZBBNJYGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-21-18-5-3-2-4-17(18)14-20-12-8-16(9-13-20)15-6-10-19-11-7-15/h2-5,15-16,19H,6-14H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine?
1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine has a molecular weight of 288.43 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-4-piperidin-4-ylpiperidine is sourced from PubChem (CID 11129974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).