4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine

C14H18FN5 — CID 175708292

IUPAC4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine
SMILESCn1nnc(C(c2ccccc2)C2(F)CCNCC2)n1
InChIInChI=1S/C14H18FN5/c1-20-18-13(17-19-20)12(11-5-3-2-4-6-11)14(15)7-9-16-10-8-14/h2-6,12,16H,7-10H2,1H3
InChIKeyHEKPKFPOQVJWTG-UHFFFAOYSA-N
MW275.33 g/mol
LogP1.43
Rot. Bonds3

About 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine

4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine (PubChem CID 175708292) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine.

Molecular Properties

Compound Name4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine
PubChem CID175708292
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine
SMILESCn1nnc(C(c2ccccc2)C2(F)CCNCC2)n1
InChIInChI=1S/C14H18FN5/c1-20-18-13(17-19-20)12(11-5-3-2-4-6-11)14(15)7-9-16-10-8-14/h2-6,12,16H,7-10H2,1H3
InChIKeyHEKPKFPOQVJWTG-UHFFFAOYSA-N
XLogP1.43
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11433053, Example 3
CID 155266085
2,2-diphenyl-N-(2H-tetrazol-5-ylmethyl)ethanamine;hydrochloride
CID 57398199
3-(4-methylphenyl)-N-[(2-methyltetrazol-5-yl)methyl]cyclobutan-1-amine
CID 122139524
N-[(2-tert-butyltetrazol-5-yl)methyl]-1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 132397634
N-[(1S)-1-cyclohexyl-2-phenylethyl]-3-(2H-tetrazol-5-yl)propan-1-amine
CID 164633338
4-(4-fluorophenyl)-3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
CID 10014951
3-(3,4-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 49834195
4-[(2,3-difluorophenyl)methyl]-2-(2H-tetrazol-5-yl)piperidine
CID 57268094
N-methyl-3-(5-methyltetrazol-2-yl)-3-[4-(trifluoromethyl)phenyl]propan-1-amine
CID 59614691
3-(2,5-difluorophenyl)-N-methyl-3-(5-methyltetrazol-2-yl)propan-1-amine
CID 59614699
2-[[5-(4-Fluorophenyl)tetrazol-2-yl]methyl]piperidine
CID 67158150
(2S)-2-[[5-(4-fluorophenyl)tetrazol-2-yl]methyl]piperidine
CID 67158151

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine?
The IUPAC name of 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine (CID 175708292) is 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine.
What is the SMILES notation for 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine?
The canonical SMILES for 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine is Cn1nnc(C(c2ccccc2)C2(F)CCNCC2)n1.
What is the InChIKey of 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine?
The InChIKey is HEKPKFPOQVJWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-20-18-13(17-19-20)12(11-5-3-2-4-6-11)14(15)7-9-16-10-8-14/h2-6,12,16H,7-10H2,1H3.
What are the key properties of 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine?
4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine has a molecular weight of 275.33 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[(2-methyltetrazol-5-yl)-phenylmethyl]piperidine is sourced from PubChem (CID 175708292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).