[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

C21H23N5O2 — CID 70786804

IUPAC[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCCCC1CCc1cccc(O)c1
InChIInChI=1S/C21H23N5O2/c27-17-8-5-6-15(14-17)11-12-16-7-3-4-13-26(16)21(28)19-10-2-1-9-18(19)20-22-24-25-23-20/h1-2,5-6,8-10,14,16,27H,3-4,7,11-13H2,(H,22,23,24,25)
InChIKeyZVMWMOXBPXFCRM-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.20
Rot. Bonds5

About [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone

[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (PubChem CID 70786804) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
PubChem CID70786804
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nn[nH]n1)N1CCCCC1CCc1cccc(O)c1
InChIInChI=1S/C21H23N5O2/c27-17-8-5-6-15(14-17)11-12-16-7-3-4-13-26(16)21(28)19-10-2-1-9-18(19)20-22-24-25-23-20/h1-2,5-6,8-10,14,16,27H,3-4,7,11-13H2,(H,22,23,24,25)
InChIKeyZVMWMOXBPXFCRM-UHFFFAOYSA-N
XLogP3.20
TPSA95.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-amino-4-pyridinyl)-[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]methanone
CID 70737293
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-(2-methyl-1,3-benzothiazol-5-yl)methanone
CID 131919452
[(2R)-2-(2-phenylethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97127200
[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]-[(2R)-2-(2-phenylethyl)piperidin-1-yl]methanone
CID 136757581
1-[(2R)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-pyridin-3-ylethane-1,2-dione
CID 95477017
[2-(2-phenylmethoxyethyl)piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10135575
N-(2-fluorophenyl)-2-[2-(3-hydroxyphenyl)ethyl]piperidine-1-carboxamide
CID 56882244
1-[2-[(2S)-2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 95550989
[2-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-8-yl)methanone
CID 46977921
[(2S)-2-(2-phenylethyl)piperidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 96579588
[2-(2-phenylethyl)piperidin-1-yl]-pyridazin-3-ylmethanone
CID 70764538
[2-[2-[(4-fluorophenyl)methoxy]ethyl]piperidin-1-yl]-(2-phenylphenyl)methanone
CID 10136736

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The IUPAC name of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone (CID 70786804) is [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone.
What is the SMILES notation for [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The canonical SMILES for [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is O=C(c1ccccc1-c1nn[nH]n1)N1CCCCC1CCc1cccc(O)c1.
What is the InChIKey of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
The InChIKey is ZVMWMOXBPXFCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-17-8-5-6-15(14-17)11-12-16-7-3-4-13-26(16)21(28)19-10-2-1-9-18(19)20-22-24-25-23-20/h1-2,5-6,8-10,14,16,27H,3-4,7,11-13H2,(H,22,23,24,25).
What are the key properties of [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone?
[2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone has a molecular weight of 377.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-hydroxyphenyl)ethyl]piperidin-1-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone is sourced from PubChem (CID 70786804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).