4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride

C18H34Cl2N6O — CID 154893250

IUPAC4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.Cn1c(CN2CCOCC2)nnc1C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C18H32N6O.2ClH/c1-22-17(14-23-9-11-25-12-10-23)20-21-18(22)15-3-2-8-24(13-15)16-4-6-19-7-5-16;;/h15-16,19H,2-14H2,1H3;2*1H
InChIKeyPHBUEUXJRXSSBJ-UHFFFAOYSA-N
MW421.42 g/mol
LogP1.42
Rot. Bonds4

About 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride

4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride (PubChem CID 154893250) has the molecular formula C18H34Cl2N6O and a molecular weight of 421.42 g/mol. Its IUPAC name is 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride
PubChem CID154893250
Molecular FormulaC18H34Cl2N6O
Molecular Weight421.42 g/mol
Exact Mass420.22
IUPAC Name4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride
SMILESCl.Cl.Cn1c(CN2CCOCC2)nnc1C1CCCN(C2CCNCC2)C1
InChIInChI=1S/C18H32N6O.2ClH/c1-22-17(14-23-9-11-25-12-10-23)20-21-18(22)15-3-2-8-24(13-15)16-4-6-19-7-5-16;;/h15-16,19H,2-14H2,1H3;2*1H
InChIKeyPHBUEUXJRXSSBJ-UHFFFAOYSA-N
XLogP1.42
TPSA58.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.42
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride with MolForge

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Related Compounds

4-[[4-methyl-5-[(3S)-1-(oxan-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 95868982
4-[[5-[(3S)-1-cyclopentylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95885667
(3R)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]-1-(oxan-4-yl)piperidine
CID 95889163
4-[[5-[(3R)-1-ethylpiperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95873162
4-[[5-[(3R)-1-(cyclopentylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95870224
4-[[5-[1-(2-methoxyethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70787358
4-[[4-methyl-5-[1-[(1-methylimidazol-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70719999
4-[[5-(1-ethylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70773391
4-[[5-(1-cyclopropylsulfonylpiperidin-3-yl)-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 70724731
2-hydroxy-1-[3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70739128
3-[(3R)-3-[4-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]propanoic acid
CID 95871976
4-[[5-[(3R)-1-(2-ethylsulfanylethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]morpholine
CID 95861997

Frequently Asked Questions

What is the IUPAC name of 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride?
The IUPAC name of 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride (CID 154893250) is 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride is Cl.Cl.Cn1c(CN2CCOCC2)nnc1C1CCCN(C2CCNCC2)C1.
What is the InChIKey of 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride?
The InChIKey is PHBUEUXJRXSSBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6O.2ClH/c1-22-17(14-23-9-11-25-12-10-23)20-21-18(22)15-3-2-8-24(13-15)16-4-6-19-7-5-16;;/h15-16,19H,2-14H2,1H3;2*1H.
What are the key properties of 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride?
4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride has a molecular weight of 421.42 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-methyl-5-(1-piperidin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]morpholine;dihydrochloride is sourced from PubChem (CID 154893250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).