1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine

C18H28N2 — CID 23727896

IUPAC1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESCc1ccc(CN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-16-5-7-17(8-6-16)15-19-13-9-18(10-14-19)20-11-3-2-4-12-20/h5-8,18H,2-4,9-15H2,1H3
InChIKeyXJYLZLHTPACMIL-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.45
Rot. Bonds3

About 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine

1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine (PubChem CID 23727896) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine.

Molecular Properties

Compound Name1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine
PubChem CID23727896
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine
SMILESCc1ccc(CN2CCC(N3CCCCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-16-5-7-17(8-6-16)15-19-13-9-18(10-14-19)20-11-3-2-4-12-20/h5-8,18H,2-4,9-15H2,1H3
InChIKeyXJYLZLHTPACMIL-UHFFFAOYSA-N
XLogP3.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine?
The IUPAC name of 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine (CID 23727896) is 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine.
What is the SMILES notation for 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine?
The canonical SMILES for 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine is Cc1ccc(CN2CCC(N3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine?
The InChIKey is XJYLZLHTPACMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-16-5-7-17(8-6-16)15-19-13-9-18(10-14-19)20-11-3-2-4-12-20/h5-8,18H,2-4,9-15H2,1H3.
What are the key properties of 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine?
1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine has a molecular weight of 272.44 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)methyl]-4-piperidin-1-ylpiperidine is sourced from PubChem (CID 23727896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).