1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride

C21H25ClFN5 — CID 171668014

IUPAC1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(C(c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C21H24FN5.ClH/c1-16-11-13-26(14-12-16)20(18-5-3-2-4-6-18)21-23-24-25-27(21)15-17-7-9-19(22)10-8-17;/h2-10,16,20H,11-15H2,1H3;1H
InChIKeyGWFRJKOZPUZUGM-UHFFFAOYSA-N
MW401.92 g/mol
LogP4.10
Rot. Bonds5

About 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride

1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride (PubChem CID 171668014) has the molecular formula C21H25ClFN5 and a molecular weight of 401.92 g/mol. Its IUPAC name is 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride
PubChem CID171668014
Molecular FormulaC21H25ClFN5
Molecular Weight401.92 g/mol
Exact Mass401.18
IUPAC Name1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(C(c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C21H24FN5.ClH/c1-16-11-13-26(14-12-16)20(18-5-3-2-4-6-18)21-23-24-25-27(21)15-17-7-9-19(22)10-8-17;/h2-10,16,20H,11-15H2,1H3;1H
InChIKeyGWFRJKOZPUZUGM-UHFFFAOYSA-N
XLogP4.10
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
CID 3201583
1-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
CID 1433407
1-[(R)-(4-chlorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
CID 1433509
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
1-[(R)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperidine
CID 7382888
1-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 3209845
1-[(R)-(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidine-4-carboxamide
CID 1446597
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
2-[(4-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 171668025
3-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3182480
3-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(4-methylpiperidin-1-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 1157034
1-[(2-fluorophenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]-4-methylpiperazine
CID 3209891

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride (CID 171668014) is 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride is CC1CCN(C(c2ccccc2)c2nnnn2Cc2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride?
The InChIKey is GWFRJKOZPUZUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5.ClH/c1-16-11-13-26(14-12-16)20(18-5-3-2-4-6-18)21-23-24-25-27(21)15-17-7-9-19(22)10-8-17;/h2-10,16,20H,11-15H2,1H3;1H.
What are the key properties of 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride?
1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride has a molecular weight of 401.92 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 171668014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).