[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol

C14H19N5O — CID 47292903

IUPAC[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
SMILESCc1ccc(-n2nnnc2N2CCC(CO)CC2)cc1
InChIInChI=1S/C14H19N5O/c1-11-2-4-13(5-3-11)19-14(15-16-17-19)18-8-6-12(10-20)7-9-18/h2-5,12,20H,6-10H2,1H3
InChIKeyKGBVVBNQGHXHLI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.18
Rot. Bonds3

About [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol

[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol (PubChem CID 47292903) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
PubChem CID47292903
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol
SMILESCc1ccc(-n2nnnc2N2CCC(CO)CC2)cc1
InChIInChI=1S/C14H19N5O/c1-11-2-4-13(5-3-11)19-14(15-16-17-19)18-8-6-12(10-20)7-9-18/h2-5,12,20H,6-10H2,1H3
InChIKeyKGBVVBNQGHXHLI-UHFFFAOYSA-N
XLogP1.18
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)tetrazol-5-yl]-4-pyrazol-1-ylpiperidine
CID 133277918
1-[1-(4-methylphenyl)tetrazol-5-yl]-4-(1-methylpyrazol-4-yl)piperidine
CID 133300635
N-[(2R)-3-methylbutan-2-yl]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-4-carboxamide
CID 52511709
4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
CID 133422212
(3S)-N-(cyclopropylmethyl)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxamide
CID 94521674
1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine-3-carboxylic acid
CID 122051249
4-benzyl-1-(1-phenyltetrazol-5-yl)piperidine
CID 705853
N-[[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]acetamide
CID 133274899
2,3-dihydroindol-1-yl-[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanone
CID 167985381
4-[[(3R)-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-3-yl]methyl]morpholine
CID 126812435
[1-[[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methyl]triazol-4-yl]methanol
CID 28955111
4-[(4-methyl-1,2,4-triazol-3-yl)methyl]-1-(1-phenyltetrazol-5-yl)piperidine
CID 70749239

Frequently Asked Questions

What is the IUPAC name of [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol (CID 47292903) is [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol is Cc1ccc(-n2nnnc2N2CCC(CO)CC2)cc1.
What is the InChIKey of [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol?
The InChIKey is KGBVVBNQGHXHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-11-2-4-13(5-3-11)19-14(15-16-17-19)18-8-6-12(10-20)7-9-18/h2-5,12,20H,6-10H2,1H3.
What are the key properties of [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol?
[1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol has a molecular weight of 273.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(4-methylphenyl)tetrazol-5-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 47292903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).