2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol

C14H26N4O — CID 164634157

IUPAC2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol
SMILESC[C@@H](CN1CCCCC1)c1ncnn1CC(C)(C)O
InChIInChI=1S/C14H26N4O/c1-12(9-17-7-5-4-6-8-17)13-15-11-16-18(13)10-14(2,3)19/h11-12,19H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyKMPDRUWXQCQYQB-LBPRGKRZSA-N
MW266.39 g/mol
LogP1.64
Rot. Bonds5

About 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol

2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol (PubChem CID 164634157) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol
PubChem CID164634157
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol
SMILESC[C@@H](CN1CCCCC1)c1ncnn1CC(C)(C)O
InChIInChI=1S/C14H26N4O/c1-12(9-17-7-5-4-6-8-17)13-15-11-16-18(13)10-14(2,3)19/h11-12,19H,4-10H2,1-3H3/t12-/m0/s1
InChIKeyKMPDRUWXQCQYQB-LBPRGKRZSA-N
XLogP1.64
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[(2S)-2-methylbutyl]-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 164635226
1-[1-(3,3,3-Trifluoro-2-hydroxy-2-methylpropyl)piperidin-4-yl]-1,2,4-triazole-3-carbonitrile
CID 137840575
1-(but-2-yn-1-yl)-3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 137884475
4-(2-Methyl-1,2,4-triazol-3-yl)-1-propylpiperidine
CID 23389272
1-Methyl-3-(2-methyl-1,2,4-triazol-3-yl)piperidine
CID 59619101
1-Methyl-4-(2-methyl-1,2,4-triazol-3-yl)piperidine
CID 67746863
3-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]pentan-3-ol
CID 71167280
[4-(1-Methylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
CID 81665438
2-[1-(2-Methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 89333367
4-(2-Ethyl-1,2,4-triazol-3-yl)-1-methylpiperidine
CID 91408692
[4-(1-Tert-butylpiperidin-4-yl)-1,2,4-triazol-3-yl]methanol
CID 118230668
1-Methyl-4-(1-methyl-1,2,4-triazol-3-yl)piperidine
CID 121478096

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol (CID 164634157) is 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol is C[C@@H](CN1CCCCC1)c1ncnn1CC(C)(C)O.
What is the InChIKey of 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol?
The InChIKey is KMPDRUWXQCQYQB-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H26N4O/c1-12(9-17-7-5-4-6-8-17)13-15-11-16-18(13)10-14(2,3)19/h11-12,19H,4-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol?
2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-[(2S)-1-piperidin-1-ylpropan-2-yl]-1,2,4-triazol-1-yl]propan-2-ol is sourced from PubChem (CID 164634157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).