1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol

C13H16ClN5O — CID 166190800

IUPAC1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol
SMILESOC1(Cn2ccnn2)CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C13H16ClN5O/c14-11-9-15-4-1-12(11)18-6-2-13(20,3-7-18)10-19-8-5-16-17-19/h1,4-5,8-9,20H,2-3,6-7,10H2
InChIKeySIOXKPKKYQZDLM-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.36
Rot. Bonds3

About 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol

1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol (PubChem CID 166190800) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol
PubChem CID166190800
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol
SMILESOC1(Cn2ccnn2)CCN(c2ccncc2Cl)CC1
InChIInChI=1S/C13H16ClN5O/c14-11-9-15-4-1-12(11)18-6-2-13(20,3-7-18)10-19-8-5-16-17-19/h1,4-5,8-9,20H,2-3,6-7,10H2
InChIKeySIOXKPKKYQZDLM-UHFFFAOYSA-N
XLogP1.36
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol (CID 166190800) is 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol is OC1(Cn2ccnn2)CCN(c2ccncc2Cl)CC1.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
The InChIKey is SIOXKPKKYQZDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-11-9-15-4-1-12(11)18-6-2-13(20,3-7-18)10-19-8-5-16-17-19/h1,4-5,8-9,20H,2-3,6-7,10H2.
What are the key properties of 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol?
1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol has a molecular weight of 293.76 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-4-(triazol-1-ylmethyl)piperidin-4-ol is sourced from PubChem (CID 166190800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).