1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

C18H27N7O — CID 70740494

IUPAC1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H27N7O/c1-23-16(13-24-10-5-15(26)6-11-24)21-22-17(23)14-4-2-9-25(12-14)18-19-7-3-8-20-18/h3,7-8,14-15,26H,2,4-6,9-13H2,1H3
InChIKeySRJBBOIEYKVQHP-UHFFFAOYSA-N
MW357.46 g/mol
LogP0.95
Rot. Bonds4

About 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol

1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 70740494) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID70740494
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCn1c(CN2CCC(O)CC2)nnc1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C18H27N7O/c1-23-16(13-24-10-5-15(26)6-11-24)21-22-17(23)14-4-2-9-25(12-14)18-19-7-3-8-20-18/h3,7-8,14-15,26H,2,4-6,9-13H2,1H3
InChIKeySRJBBOIEYKVQHP-UHFFFAOYSA-N
XLogP0.95
TPSA83.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

2-[3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70756476
1-[[4-methyl-5-(1-pyridin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70717146
1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95870699
1-[[4-methyl-5-[(3R)-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95896424
1-[[4-methyl-5-[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95871888
1-[[4-methyl-5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126434317
2-[(3S)-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidin-4-amine
CID 95895687
5-methoxy-2-[3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyrimidine
CID 70711406
1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119068753
1-[[5-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126426589
1-[[4-methyl-5-[(3S)-1-[(5-methyl-1H-imidazol-4-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95861036
1-[[4-methyl-5-[1-(3,3,3-trifluoropropyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70726015

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 70740494) is 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cn1c(CN2CCC(O)CC2)nnc1C1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is SRJBBOIEYKVQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N7O/c1-23-16(13-24-10-5-15(26)6-11-24)21-22-17(23)14-4-2-9-25(12-14)18-19-7-3-8-20-18/h3,7-8,14-15,26H,2,4-6,9-13H2,1H3.
What are the key properties of 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 357.46 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 70740494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).