3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine

C26H36N2 — CID 44588213

IUPAC3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
SMILESCC1CC(C)CN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C26H36N2/c1-21-16-22(2)18-28(17-21)20-24-8-12-26(13-9-24)25-10-6-23(7-11-25)19-27-14-4-3-5-15-27/h6-13,21-22H,3-5,14-20H2,1-2H3
InChIKeyYWPYNYLSFPUIOX-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.82
Rot. Bonds5

About 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine

3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine (PubChem CID 44588213) has the molecular formula C26H36N2 and a molecular weight of 376.59 g/mol. Its IUPAC name is 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine.

Molecular Properties

Compound Name3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
PubChem CID44588213
Molecular FormulaC26H36N2
Molecular Weight376.59 g/mol
Exact Mass376.29
IUPAC Name3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine
SMILESCC1CC(C)CN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)C1
InChIInChI=1S/C26H36N2/c1-21-16-22(2)18-28(17-21)20-24-8-12-26(13-9-24)25-10-6-23(7-11-25)19-27-14-4-3-5-15-27/h6-13,21-22H,3-5,14-20H2,1-2H3
InChIKeyYWPYNYLSFPUIOX-UHFFFAOYSA-N
XLogP5.82
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
The IUPAC name of 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine (CID 44588213) is 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine.
What is the SMILES notation for 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
The canonical SMILES for 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine is CC1CC(C)CN(Cc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)C1.
What is the InChIKey of 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
The InChIKey is YWPYNYLSFPUIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2/c1-21-16-22(2)18-28(17-21)20-24-8-12-26(13-9-24)25-10-6-23(7-11-25)19-27-14-4-3-5-15-27/h6-13,21-22H,3-5,14-20H2,1-2H3.
What are the key properties of 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine?
3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine has a molecular weight of 376.59 g/mol, XLogP of 5.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]piperidine is sourced from PubChem (CID 44588213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).