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

C28H54N4 — CID 135179535

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine
SMILESCC1CCN(CCN2CCC(CCC3CCN(CCC4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H54N4/c1-25-5-16-31(17-6-25)23-24-32-21-11-27(12-22-32)4-3-26-9-18-30(19-10-26)20-13-28-7-14-29(2)15-8-28/h25-28H,3-24H2,1-2H3
InChIKeyUFHBBIFFJWWIHO-UHFFFAOYSA-N
MW446.77 g/mol
LogP4.65
Rot. Bonds9

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

1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine (PubChem CID 135179535) 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-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine
PubChem CID135179535
Molecular FormulaC28H54N4
Molecular Weight446.77 g/mol
Exact Mass446.43
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine
SMILESCC1CCN(CCN2CCC(CCC3CCN(CCC4CCN(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C28H54N4/c1-25-5-16-31(17-6-25)23-24-32-21-11-27(12-22-32)4-3-26-9-18-30(19-10-26)20-13-28-7-14-29(2)15-8-28/h25-28H,3-24H2,1-2H3
InChIKeyUFHBBIFFJWWIHO-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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine (CID 135179535) is 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine.
What is the SMILES notation for 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine is CC1CCN(CCN2CCC(CCC3CCN(CCC4CCN(C)CC4)CC3)CC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
The InChIKey is UFHBBIFFJWWIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H54N4/c1-25-5-16-31(17-6-25)23-24-32-21-11-27(12-22-32)4-3-26-9-18-30(19-10-26)20-13-28-7-14-29(2)15-8-28/h25-28H,3-24H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine?
1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(1-methylpiperidin-4-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-(1-methylpiperidin-4-yl)ethyl]piperidin-4-yl]ethyl]piperidine is sourced from PubChem (CID 135179535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).