1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol

C14H19N5O2 — CID 154756855

IUPAC1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCOc1ncccc1CN1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H19N5O2/c1-21-13-11(4-2-6-15-13)9-19-7-3-5-14(20,10-19)12-8-16-18-17-12/h2,4,6,8,20H,3,5,7,9-10H2,1H3,(H,16,17,18)
InChIKeyCQXGXDWSSMFLQV-UHFFFAOYSA-N
MW289.34 g/mol
LogP0.69
Rot. Bonds4

About 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol

1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 154756855) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID154756855
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCOc1ncccc1CN1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H19N5O2/c1-21-13-11(4-2-6-15-13)9-19-7-3-5-14(20,10-19)12-8-16-18-17-12/h2,4,6,8,20H,3,5,7,9-10H2,1H3,(H,16,17,18)
InChIKeyCQXGXDWSSMFLQV-UHFFFAOYSA-N
XLogP0.69
TPSA87.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-hydroxy-1-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 100649159
1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128980343
1-[(6-chloroquinolin-8-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol;hydroiodide
CID 167743063
1'-[(2-methoxy-3-pyridinyl)methyl]-2-methylspiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]
CID 163308924
2-[2-[[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methyl]phenyl]-2-methylpropanenitrile
CID 128981204
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954203
2-[(2-methoxy-3-pyridinyl)methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115965
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
(4R,5S)-7-[(2-methoxy-3-pyridinyl)methyl]-4-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 98776992

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol (CID 154756855) is 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol is COc1ncccc1CN1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is CQXGXDWSSMFLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-21-13-11(4-2-6-15-13)9-19-7-3-5-14(20,10-19)12-8-16-18-17-12/h2,4,6,8,20H,3,5,7,9-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol has a molecular weight of 289.34 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 154756855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).