1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine

C22H27N5O — CID 3201584

IUPAC1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H27N5O/c1-17-12-14-26(15-13-17)21(19-6-4-3-5-7-19)22-23-24-25-27(22)16-18-8-10-20(28-2)11-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeySOACKOPQJVPUON-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.55
Rot. Bonds6

About 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine

1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine (PubChem CID 3201584) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
PubChem CID3201584
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine
SMILESCOc1ccc(Cn2nnnc2C(c2ccccc2)N2CCC(C)CC2)cc1
InChIInChI=1S/C22H27N5O/c1-17-12-14-26(15-13-17)21(19-6-4-3-5-7-19)22-23-24-25-27(22)16-18-8-10-20(28-2)11-9-18/h3-11,17,21H,12-16H2,1-2H3
InChIKeySOACKOPQJVPUON-UHFFFAOYSA-N
XLogP3.55
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine?
The IUPAC name of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine (CID 3201584) is 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine?
The canonical SMILES for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine is COc1ccc(Cn2nnnc2C(c2ccccc2)N2CCC(C)CC2)cc1.
What is the InChIKey of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine?
The InChIKey is SOACKOPQJVPUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-17-12-14-26(15-13-17)21(19-6-4-3-5-7-19)22-23-24-25-27(22)16-18-8-10-20(28-2)11-9-18/h3-11,17,21H,12-16H2,1-2H3.
What are the key properties of 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine?
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine has a molecular weight of 377.49 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperidine is sourced from PubChem (CID 3201584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).