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

C28H54N4 — CID 138656915

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine
SMILESCC1CCN(CCN2CCC(CCC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H54N4/c1-25-5-13-29(14-6-25)21-23-31-17-9-27(10-18-31)3-4-28-11-19-32(20-12-28)24-22-30-15-7-26(2)8-16-30/h25-28H,3-24H2,1-2H3
InChIKeyIPSQBGWLVDFXDN-UHFFFAOYSA-N
MW446.77 g/mol
LogP4.65
Rot. Bonds9

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

1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine (PubChem CID 138656915) has the molecular formula C28H54N4 and a molecular weight of 446.77 g/mol. Its IUPAC name is 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine
PubChem CID138656915
Molecular FormulaC28H54N4
Molecular Weight446.77 g/mol
Exact Mass446.43
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine
SMILESCC1CCN(CCN2CCC(CCC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H54N4/c1-25-5-13-29(14-6-25)21-23-31-17-9-27(10-18-31)3-4-28-11-19-32(20-12-28)24-22-30-15-7-26(2)8-16-30/h25-28H,3-24H2,1-2H3
InChIKeyIPSQBGWLVDFXDN-UHFFFAOYSA-N
XLogP4.65
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.77
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine (CID 138656915) is 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine is CC1CCN(CCN2CCC(CCC3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
The InChIKey is IPSQBGWLVDFXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4/c1-25-5-13-29(14-6-25)21-23-31-17-9-27(10-18-31)3-4-28-11-19-32(20-12-28)24-22-30-15-7-26(2)8-16-30/h25-28H,3-24H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine has a molecular weight of 446.77 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperidine is sourced from PubChem (CID 138656915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).