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

C27H53N5 — CID 134582815

IUPAC1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine
SMILESCC1CCN(CCN2CCC(CCN3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C27H53N5/c1-25-3-10-28(11-4-25)17-18-30-14-7-27(8-15-30)9-16-31-20-23-32(24-21-31)22-19-29-12-5-26(2)6-13-29/h25-27H,3-24H2,1-2H3
InChIKeyNLVHIIAXROHOCK-UHFFFAOYSA-N
MW447.76 g/mol
LogP3.17
Rot. Bonds9

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

1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine (PubChem CID 134582815) has the molecular formula C27H53N5 and a molecular weight of 447.76 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]piperazine.

Molecular Properties

Compound Name1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine
PubChem CID134582815
Molecular FormulaC27H53N5
Molecular Weight447.76 g/mol
Exact Mass447.43
IUPAC Name1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine
SMILESCC1CCN(CCN2CCC(CCN3CCN(CCN4CCC(C)CC4)CC3)CC2)CC1
InChIInChI=1S/C27H53N5/c1-25-3-10-28(11-4-25)17-18-30-14-7-27(8-15-30)9-16-31-20-23-32(24-21-31)22-19-29-12-5-26(2)6-13-29/h25-27H,3-24H2,1-2H3
InChIKeyNLVHIIAXROHOCK-UHFFFAOYSA-N
XLogP3.17
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.76
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]piperazine?
The IUPAC name of 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine (CID 134582815) is 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine.
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]piperazine?
The canonical SMILES for 1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine is CC1CCN(CCN2CCC(CCN3CCN(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]piperazine?
The InChIKey is NLVHIIAXROHOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H53N5/c1-25-3-10-28(11-4-25)17-18-30-14-7-27(8-15-30)9-16-31-20-23-32(24-21-31)22-19-29-12-5-26(2)6-13-29/h25-27H,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]piperazine?
1-[2-(4-methylpiperidin-1-yl)ethyl]-4-[2-[1-[2-(4-methylpiperidin-1-yl)ethyl]piperidin-4-yl]ethyl]piperazine has a molecular weight of 447.76 g/mol, XLogP of 3.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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]piperazine is sourced from PubChem (CID 134582815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).