6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol

C18H20N4O — CID 77078615

IUPAC6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2cc(CN3CCC(c4ncn[nH]4)CC3)ccc2c1
InChIInChI=1S/C18H20N4O/c23-17-4-3-15-9-13(1-2-16(15)10-17)11-22-7-5-14(6-8-22)18-19-12-20-21-18/h1-4,9-10,12,14,23H,5-8,11H2,(H,19,20,21)
InChIKeyRIEIRESAINVJJN-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.04
Rot. Bonds3

About 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol

6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol (PubChem CID 77078615) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol.

Molecular Properties

Compound Name6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol
PubChem CID77078615
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol
SMILESOc1ccc2cc(CN3CCC(c4ncn[nH]4)CC3)ccc2c1
InChIInChI=1S/C18H20N4O/c23-17-4-3-15-9-13(1-2-16(15)10-17)11-22-7-5-14(6-8-22)18-19-12-20-21-18/h1-4,9-10,12,14,23H,5-8,11H2,(H,19,20,21)
InChIKeyRIEIRESAINVJJN-UHFFFAOYSA-N
XLogP3.04
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol with MolForge

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Related Compounds

1-[4-[(6-hydroxynaphthalen-2-yl)methyl]piperazin-1-yl]ethanone
CID 123847474
1-(3-phenoxypropyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 131916496
1-[(4-phenylmethoxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77085937
5-[1-[(3-chloronaphthalen-1-yl)methyl]pyrrolidin-3-yl]-1H-1,2,4-triazole
CID 166256181
2-[4-[[(3S)-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]phenoxy]acetic acid
CID 99930607
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
CID 111916571
1-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 74230143
1-[(3-cyclopentyloxyphenyl)methyl]-3-(1H-1,2,4-triazol-5-yl)piperidine
CID 77086173
1-(dibenzothiophen-4-ylmethyl)-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 131893219
1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]-4-(1H-1,2,4-triazol-5-yl)piperidine
CID 136535898
2-[[3-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl]-5-(trifluoromethyl)-1,3-benzoxazole
CID 138001082
N-[(4-bromophenyl)methyl]-N'-methyl-4-(1H-1,2,4-triazol-5-yl)piperidine-1-carboximidamide;hydroiodide
CID 111978809

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol?
The IUPAC name of 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol (CID 77078615) is 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol.
What is the SMILES notation for 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol?
The canonical SMILES for 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol is Oc1ccc2cc(CN3CCC(c4ncn[nH]4)CC3)ccc2c1.
What is the InChIKey of 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol?
The InChIKey is RIEIRESAINVJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-17-4-3-15-9-13(1-2-16(15)10-17)11-22-7-5-14(6-8-22)18-19-12-20-21-18/h1-4,9-10,12,14,23H,5-8,11H2,(H,19,20,21).
What are the key properties of 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol?
6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol has a molecular weight of 308.38 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]naphthalen-2-ol is sourced from PubChem (CID 77078615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).