4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine

C28H40N2 — CID 44588278

IUPAC4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine
SMILESCC1CCN(CCc2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C28H40N2/c1-23-11-17-29(18-12-23)21-15-25-3-7-27(8-4-25)28-9-5-26(6-10-28)16-22-30-19-13-24(2)14-20-30/h3-10,23-24H,11-22H2,1-2H3
InChIKeyCYSDCSLGWAVYPG-UHFFFAOYSA-N
MW404.64 g/mol
LogP5.90
Rot. Bonds7

About 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine

4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine (PubChem CID 44588278) has the molecular formula C28H40N2 and a molecular weight of 404.64 g/mol. Its IUPAC name is 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine
PubChem CID44588278
Molecular FormulaC28H40N2
Molecular Weight404.64 g/mol
Exact Mass404.32
IUPAC Name4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine
SMILESCC1CCN(CCc2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2)CC1
InChIInChI=1S/C28H40N2/c1-23-11-17-29(18-12-23)21-15-25-3-7-27(8-4-25)28-9-5-26(6-10-28)16-22-30-19-13-24(2)14-20-30/h3-10,23-24H,11-22H2,1-2H3
InChIKeyCYSDCSLGWAVYPG-UHFFFAOYSA-N
XLogP5.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.64
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine?
The IUPAC name of 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine (CID 44588278) is 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine.
What is the SMILES notation for 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine?
The canonical SMILES for 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine is CC1CCN(CCc2ccc(-c3ccc(CCN4CCC(C)CC4)cc3)cc2)CC1.
What is the InChIKey of 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine?
The InChIKey is CYSDCSLGWAVYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N2/c1-23-11-17-29(18-12-23)21-15-25-3-7-27(8-4-25)28-9-5-26(6-10-28)16-22-30-19-13-24(2)14-20-30/h3-10,23-24H,11-22H2,1-2H3.
What are the key properties of 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine?
4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine has a molecular weight of 404.64 g/mol, XLogP of 5.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-[4-[4-[2-(4-methylpiperidin-1-yl)ethyl]phenyl]phenyl]ethyl]piperidine is sourced from PubChem (CID 44588278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).