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

C22H33N5O — CID 119068753

IUPAC1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1ccccc1CN1CCCC(c2nnc(CN3CCC(O)CC3)n2C)C1
InChIInChI=1S/C22H33N5O/c1-17-6-3-4-7-18(17)14-27-11-5-8-19(15-27)22-24-23-21(25(22)2)16-26-12-9-20(28)10-13-26/h3-4,6-7,19-20,28H,5,8-16H2,1-2H3
InChIKeyDNQCPEDBNVQSND-UHFFFAOYSA-N
MW383.54 g/mol
LogP2.46
Rot. Bonds5

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

1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (PubChem CID 119068753) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
PubChem CID119068753
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
SMILESCc1ccccc1CN1CCCC(c2nnc(CN3CCC(O)CC3)n2C)C1
InChIInChI=1S/C22H33N5O/c1-17-6-3-4-7-18(17)14-27-11-5-8-19(15-27)22-24-23-21(25(22)2)16-26-12-9-20(28)10-13-26/h3-4,6-7,19-20,28H,5,8-16H2,1-2H3
InChIKeyDNQCPEDBNVQSND-UHFFFAOYSA-N
XLogP2.46
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[(2-methylphenyl)methyl]-4-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 72928742
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-[(1,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 126446187
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-[(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
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-[(2,5-dimethylphenyl)methyl]-3-[4-methyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70752058
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-[[5-[(3S)-1-(1H-imidazol-5-ylmethyl)piperidin-3-yl]-4-methyl-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 95873103
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-(1-pyridin-4-ylpiperidin-3-yl)-1,2,4-triazol-3-yl]methyl]piperidin-4-ol
CID 70717146

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol (CID 119068753) is 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is Cc1ccccc1CN1CCCC(c2nnc(CN3CCC(O)CC3)n2C)C1.
What is the InChIKey of 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
The InChIKey is DNQCPEDBNVQSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-17-6-3-4-7-18(17)14-27-11-5-8-19(15-27)22-24-23-21(25(22)2)16-26-12-9-20(28)10-13-26/h3-4,6-7,19-20,28H,5,8-16H2,1-2H3.
What are the key properties of 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol?
1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol has a molecular weight of 383.54 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-5-[1-[(2-methylphenyl)methyl]piperidin-3-yl]-1,2,4-triazol-3-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 119068753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).