4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride

C8H16Cl2N4O — CID 126809505

IUPAC4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.Cn1ncnc1C1(O)CCNCC1
InChIInChI=1S/C8H14N4O.2ClH/c1-12-7(10-6-11-12)8(13)2-4-9-5-3-8;;/h6,9,13H,2-5H2,1H3;2*1H
InChIKeyNCIQHRCSRWXBRV-UHFFFAOYSA-N
MW255.15 g/mol
LogP0.23
Rot. Bonds1

About 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride

4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride (PubChem CID 126809505) has the molecular formula C8H16Cl2N4O and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride
PubChem CID126809505
Molecular FormulaC8H16Cl2N4O
Molecular Weight255.15 g/mol
Exact Mass254.07
IUPAC Name4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.Cn1ncnc1C1(O)CCNCC1
InChIInChI=1S/C8H14N4O.2ClH/c1-12-7(10-6-11-12)8(13)2-4-9-5-3-8;;/h6,9,13H,2-5H2,1H3;2*1H
InChIKeyNCIQHRCSRWXBRV-UHFFFAOYSA-N
XLogP0.23
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol dihydrochloride
CID 137698610
1-[(2S)-2-methylbutyl]-4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol
CID 164635226
4-(1-Methyl-1H-1,2,4-triazol-5-yl)piperidin-4-ol
CID 126809506
3-[(4-Methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 127018253
1-(1-Piperidin-4-yl-1,2,4-triazol-3-yl)cyclopropan-1-ol
CID 174285577
[1-(Piperidin-4-ylmethyl)-1,2,4-triazol-3-yl]methanol
CID 174629022
4-[(2-Methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65602691
1-Methyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65602890
1-Ethyl-4-[(2-methyl-1,2,4-triazol-3-yl)methyl]piperidin-4-ol
CID 65602891
4-[(2-Methyl-1,2,4-triazol-3-yl)methyl]-1-propylpiperidin-4-ol
CID 65602892
4-[(2-Methyl-1,2,4-triazol-3-yl)methyl]-1-propan-2-ylpiperidin-4-ol
CID 65602893
3-[(2-Methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-ol
CID 65603308

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride (CID 126809505) is 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride is Cl.Cl.Cn1ncnc1C1(O)CCNCC1.
What is the InChIKey of 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride?
The InChIKey is NCIQHRCSRWXBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.2ClH/c1-12-7(10-6-11-12)8(13)2-4-9-5-3-8;;/h6,9,13H,2-5H2,1H3;2*1H.
What are the key properties of 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride?
4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride has a molecular weight of 255.15 g/mol, XLogP of 0.23, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,2,4-triazol-3-yl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 126809505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).