4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine

C13H17N5O — CID 116844704

IUPAC4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
SMILESCOc1cccc(C2(c3nn[nH]n3)CCNCC2)c1
InChIInChI=1S/C13H17N5O/c1-19-11-4-2-3-10(9-11)13(5-7-14-8-6-13)12-15-17-18-16-12/h2-4,9,14H,5-8H2,1H3,(H,15,16,17,18)
InChIKeyZEUBJIWZMWKQFT-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.88
Rot. Bonds3

About 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine

4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine (PubChem CID 116844704) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine.

Molecular Properties

Compound Name4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
PubChem CID116844704
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine
SMILESCOc1cccc(C2(c3nn[nH]n3)CCNCC2)c1
InChIInChI=1S/C13H17N5O/c1-19-11-4-2-3-10(9-11)13(5-7-14-8-6-13)12-15-17-18-16-12/h2-4,9,14H,5-8H2,1H3,(H,15,16,17,18)
InChIKeyZEUBJIWZMWKQFT-UHFFFAOYSA-N
XLogP0.88
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
2-[4-(3-methoxyphenyl)piperidin-4-yl]acetonitrile
CID 174481601
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
4-[(3-methoxyphenoxy)methyl]piperidin-4-ol
CID 81042080
(4aR,8aR)-4a-(3-methoxyphenyl)-1,2,3,4,5,6,7,8-octahydroisoquinolin-8a-ol
CID 57075287
4-[[(3-methoxyphenyl)methyl-methylamino]methyl]piperidin-4-ol
CID 62221334
4-fluoro-4-[(3-methoxyphenyl)methyl]piperidine
CID 83823063
2-(3-methoxyphenyl)-2-propylazetidine
CID 115058563
(1R,5R)-5-(3-methoxyphenyl)-2-azabicyclo[3.3.1]nonan-9-one
CID 16756620
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-1-(3-methoxyphenyl)cyclopentane-1-carboxamide
CID 120891099
[5-(3-methoxyphenyl)spiro[2.3]hexan-5-yl]methanamine
CID 65008436
(3S)-3-(3-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 11264195

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine?
The IUPAC name of 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine (CID 116844704) is 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine.
What is the SMILES notation for 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine?
The canonical SMILES for 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine is COc1cccc(C2(c3nn[nH]n3)CCNCC2)c1.
What is the InChIKey of 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine?
The InChIKey is ZEUBJIWZMWKQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c1-19-11-4-2-3-10(9-11)13(5-7-14-8-6-13)12-15-17-18-16-12/h2-4,9,14H,5-8H2,1H3,(H,15,16,17,18).
What are the key properties of 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine?
4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine has a molecular weight of 259.31 g/mol, XLogP of 0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)-4-(2H-tetrazol-5-yl)piperidine is sourced from PubChem (CID 116844704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).