1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine

C23H39N5 — CID 171070266

IUPAC1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCC(CN3CCN(CC4CCN(C)CC4)CC3)CC2)nc1
InChIInChI=1S/C23H39N5/c1-20-3-4-23(24-17-20)28-11-7-22(8-12-28)19-27-15-13-26(14-16-27)18-21-5-9-25(2)10-6-21/h3-4,17,21-22H,5-16,18-19H2,1-2H3
InChIKeyTYLNUQAHNZRWEM-UHFFFAOYSA-N
MW385.60 g/mol
LogP2.57
Rot. Bonds5

About 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine

1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine (PubChem CID 171070266) has the molecular formula C23H39N5 and a molecular weight of 385.60 g/mol. Its IUPAC name is 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
PubChem CID171070266
Molecular FormulaC23H39N5
Molecular Weight385.60 g/mol
Exact Mass385.32
IUPAC Name1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine
SMILESCc1ccc(N2CCC(CN3CCN(CC4CCN(C)CC4)CC3)CC2)nc1
InChIInChI=1S/C23H39N5/c1-20-3-4-23(24-17-20)28-11-7-22(8-12-28)19-27-15-13-26(14-16-27)18-21-5-9-25(2)10-6-21/h3-4,17,21-22H,5-16,18-19H2,1-2H3
InChIKeyTYLNUQAHNZRWEM-UHFFFAOYSA-N
XLogP2.57
TPSA25.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.60
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
The IUPAC name of 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine (CID 171070266) is 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
The canonical SMILES for 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine is Cc1ccc(N2CCC(CN3CCN(CC4CCN(C)CC4)CC3)CC2)nc1.
What is the InChIKey of 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
The InChIKey is TYLNUQAHNZRWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5/c1-20-3-4-23(24-17-20)28-11-7-22(8-12-28)19-27-15-13-26(14-16-27)18-21-5-9-25(2)10-6-21/h3-4,17,21-22H,5-16,18-19H2,1-2H3.
What are the key properties of 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine?
1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine has a molecular weight of 385.60 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpiperidin-4-yl)methyl]-4-[[1-(5-methyl-2-pyridinyl)piperidin-4-yl]methyl]piperazine is sourced from PubChem (CID 171070266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).