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

C20H30N6O — CID 95870699

IUPAC1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1cc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)ccn1
InChIInChI=1S/C20H30N6O/c1-15-12-17(5-8-21-15)26-9-3-4-16(13-26)20-23-22-19(24(20)2)14-25-10-6-18(27)7-11-25/h5,8,12,16,18,27H,3-4,6-7,9-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyCZAPEMXAPNDTOT-MRXNPFEDSA-N
MW370.50 g/mol
LogP1.86
Rot. Bonds4

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

1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 95870699) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID95870699
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1cc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)ccn1
InChIInChI=1S/C20H30N6O/c1-15-12-17(5-8-21-15)26-9-3-4-16(13-26)20-23-22-19(24(20)2)14-25-10-6-18(27)7-11-25/h5,8,12,16,18,27H,3-4,6-7,9-11,13-14H2,1-2H3/t16-/m1/s1
InChIKeyCZAPEMXAPNDTOT-MRXNPFEDSA-N
XLogP1.86
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

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-(6-methylpyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95896424
1-[[4-methyl-5-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70740494
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
4-[(3R)-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 95874854
4-[[4-methyl-5-[1-(2-methyl-4-pyridinyl)piperidin-4-yl]-1,2,4-triazol-3-yl]methyl]morpholine
CID 70776646
1-[[4-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119066132
1-[[5-[(3R)-1-(furan-3-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126441447
1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119068753
1-[[4-methyl-5-[(3S)-1-(2-phenylethyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126434317
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-[1-[(5-methylfuran-2-yl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 119063753

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 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) is 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cc1cc(N2CCC[C@@H](c3nnc(CN4CCC(O)CC4)n3C)C2)ccn1.
What is the InChIKey of 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is CZAPEMXAPNDTOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H30N6O/c1-15-12-17(5-8-21-15)26-9-3-4-16(13-26)20-23-22-19(24(20)2)14-25-10-6-18(27)7-11-25/h5,8,12,16,18,27H,3-4,6-7,9-11,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 370.50 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 95870699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).