1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

C18H32N6 — CID 72876363

IUPAC1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnc(C3CCN(CC4CC4)CC3)n2C)CC1
InChIInChI=1S/C18H32N6/c1-21-9-11-24(12-10-21)14-17-19-20-18(22(17)2)16-5-7-23(8-6-16)13-15-3-4-15/h15-16H,3-14H2,1-2H3
InChIKeySJIRAMSCXSHWKY-UHFFFAOYSA-N
MW332.50 g/mol
LogP1.15
Rot. Bonds5

About 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine

1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (PubChem CID 72876363) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
PubChem CID72876363
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine
SMILESCN1CCN(Cc2nnc(C3CCN(CC4CC4)CC3)n2C)CC1
InChIInChI=1S/C18H32N6/c1-21-9-11-24(12-10-21)14-17-19-20-18(22(17)2)16-5-7-23(8-6-16)13-15-3-4-15/h15-16H,3-14H2,1-2H3
InChIKeySJIRAMSCXSHWKY-UHFFFAOYSA-N
XLogP1.15
TPSA40.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine (CID 72876363) is 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is CN1CCN(Cc2nnc(C3CCN(CC4CC4)CC3)n2C)CC1.
What is the InChIKey of 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
The InChIKey is SJIRAMSCXSHWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-21-9-11-24(12-10-21)14-17-19-20-18(22(17)2)16-5-7-23(8-6-16)13-15-3-4-15/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine?
1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine has a molecular weight of 332.50 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[1-(cyclopropylmethyl)piperidin-4-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]-4-methylpiperazine is sourced from PubChem (CID 72876363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).