(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

C13H15N5O2 — CID 110881986

IUPAC(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCCC(O)C1
InChIInChI=1S/C13H15N5O2/c19-12-5-2-6-17(8-12)13(20)10-3-1-4-11(7-10)18-9-14-15-16-18/h1,3-4,7,9,12,19H,2,5-6,8H2
InChIKeyVFZYOIBLODTLTE-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.26
Rot. Bonds2

About (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone

(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 110881986) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
PubChem CID110881986
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1cccc(-n2cnnn2)c1)N1CCCC(O)C1
InChIInChI=1S/C13H15N5O2/c19-12-5-2-6-17(8-12)13(20)10-3-1-4-11(7-10)18-9-14-15-16-18/h1,3-4,7,9,12,19H,2,5-6,8H2
InChIKeyVFZYOIBLODTLTE-UHFFFAOYSA-N
XLogP0.26
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[3-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113704
[3-(methylamino)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 119490146
[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 52523347
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 95282434
[(2R)-2-methylmorpholin-4-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 94017586
[(3R)-3-methylpiperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 166233275
[(3R)-3-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 51494017
[3-(tetrazol-1-yl)phenyl]-[(3R)-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 129417243
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(4-pyrimidin-2-ylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 26519874

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone (CID 110881986) is (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is O=C(c1cccc(-n2cnnn2)c1)N1CCCC(O)C1.
What is the InChIKey of (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is VFZYOIBLODTLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c19-12-5-2-6-17(8-12)13(20)10-3-1-4-11(7-10)18-9-14-15-16-18/h1,3-4,7,9,12,19H,2,5-6,8H2.
What are the key properties of (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone?
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 273.30 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 110881986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).