1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol

C13H16ClN5O — CID 139019651

IUPAC1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(-c3ccc(Cl)cn3)nn2)CC1
InChIInChI=1S/C13H16ClN5O/c14-10-1-2-13(15-7-10)19-9-11(16-17-19)8-18-5-3-12(20)4-6-18/h1-2,7,9,12,20H,3-6,8H2
InChIKeyNVHRSQHHRLDLIW-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.27
Rot. Bonds3

About 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol

1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol (PubChem CID 139019651) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol
PubChem CID139019651
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol
SMILESOC1CCN(Cc2cn(-c3ccc(Cl)cn3)nn2)CC1
InChIInChI=1S/C13H16ClN5O/c14-10-1-2-13(15-7-10)19-9-11(16-17-19)8-18-5-3-12(20)4-6-18/h1-2,7,9,12,20H,3-6,8H2
InChIKeyNVHRSQHHRLDLIW-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(4-chlorophenyl)methyl]piperidin-4-ol
CID 764482
1-[(5-chloro-2-pyridinyl)methyl]piperidin-4-amine
CID 175660028
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774498
(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine
CID 70951101
(3S,4R)-1-[(5-chloro-2-pyridinyl)methyl]-4-phenylpiperidin-3-ol
CID 162634174
1-[[6-(dimethylamino)-3-pyridinyl]methyl]piperidin-4-ol
CID 145197805
4-[[1-(5-methyl-2-pyridinyl)triazol-4-yl]methyl]piperazin-2-one
CID 139019667
4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 75519922
[(2R)-4-[[1-(3-chloro-4-fluorophenyl)triazol-4-yl]methyl]morpholin-2-yl]methanol
CID 99853569
1-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]pyrrolidin-3-ol
CID 62917347
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111332524
1-[1-[(3-chloro-4-fluorophenyl)methyl]piperidin-4-yl]piperidin-4-ol
CID 70735974

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol (CID 139019651) is 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol is OC1CCN(Cc2cn(-c3ccc(Cl)cn3)nn2)CC1.
What is the InChIKey of 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol?
The InChIKey is NVHRSQHHRLDLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c14-10-1-2-13(15-7-10)19-9-11(16-17-19)8-18-5-3-12(20)4-6-18/h1-2,7,9,12,20H,3-6,8H2.
What are the key properties of 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol?
1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol has a molecular weight of 293.76 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(5-chloro-2-pyridinyl)triazol-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 139019651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).