4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride

C8H16Cl2N4O — CID 136575642

IUPAC4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.OC1(Cn2ccnn2)CCNCC1
InChIInChI=1S/C8H14N4O.2ClH/c13-8(1-3-9-4-2-8)7-12-6-5-10-11-12;;/h5-6,9,13H,1-4,7H2;2*1H
InChIKeyKXDKELWZMVQPCW-UHFFFAOYSA-N
MW255.15 g/mol
LogP0.24
Rot. Bonds2

About 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride

4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride (PubChem CID 136575642) has the molecular formula C8H16Cl2N4O and a molecular weight of 255.15 g/mol. Its IUPAC name is 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride
PubChem CID136575642
Molecular FormulaC8H16Cl2N4O
Molecular Weight255.15 g/mol
Exact Mass254.07
IUPAC Name4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.OC1(Cn2ccnn2)CCNCC1
InChIInChI=1S/C8H14N4O.2ClH/c13-8(1-3-9-4-2-8)7-12-6-5-10-11-12;;/h5-6,9,13H,1-4,7H2;2*1H
InChIKeyKXDKELWZMVQPCW-UHFFFAOYSA-N
XLogP0.24
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride (CID 136575642) is 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride is Cl.Cl.OC1(Cn2ccnn2)CCNCC1.
What is the InChIKey of 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride?
The InChIKey is KXDKELWZMVQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.2ClH/c13-8(1-3-9-4-2-8)7-12-6-5-10-11-12;;/h5-6,9,13H,1-4,7H2;2*1H.
What are the key properties of 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride?
4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride has a molecular weight of 255.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(triazol-1-ylmethyl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 136575642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).