1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine

C22H33N5O2 — CID 3201608

IUPAC1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C22H33N5O2/c1-16-11-13-26(14-12-16)21(19-10-9-18(28-2)15-20(19)29-3)22-23-24-25-27(22)17-7-5-4-6-8-17/h9-10,15-17,21H,4-8,11-14H2,1-3H3
InChIKeyIMFWUPWWNZWCSN-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.02
Rot. Bonds6

About 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine

1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine (PubChem CID 3201608) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
PubChem CID3201608
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
SMILESCOc1ccc(C(c2nnnn2C2CCCCC2)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C22H33N5O2/c1-16-11-13-26(14-12-16)21(19-10-9-18(28-2)15-20(19)29-3)22-23-24-25-27(22)17-7-5-4-6-8-17/h9-10,15-17,21H,4-8,11-14H2,1-3H3
InChIKeyIMFWUPWWNZWCSN-UHFFFAOYSA-N
XLogP4.02
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-5-[(S)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436524
1-cyclohexyl-5-[(R)-(2-methoxyphenyl)-pyrrolidin-1-ylmethyl]tetrazole
CID 7436527
1-[(S)-(1-cyclohexyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1443193
2-[4-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperazin-1-yl]-1,3-benzothiazole;hydrochloride
CID 171668070
1-[(2,4-dimethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-4-methylpiperidine
CID 23761879
1-[(R)-(1-tert-butyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1444040
1-cyclohexyl-4-[(S)-(1-cyclopentyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 1443548
1-[(R)-(1-cyclohexyltetrazol-5-yl)-phenylmethyl]-4-methylpiperidine
CID 858112
4-[(S)-azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
CID 1457089
4-[(1-cyclopentyltetrazol-5-yl)-piperidin-1-ylmethyl]-8-methoxytetrazolo[1,5-a]quinoline
CID 5017809
4-[azepan-1-yl-(1-cyclopentyltetrazol-5-yl)methyl]-8-methoxytetrazolo[1,5-a]quinoline
CID 3214870
2-[(R)-(1-cyclopentyltetrazol-5-yl)-(2,5-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 1433754

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine (CID 3201608) is 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine is COc1ccc(C(c2nnnn2C2CCCCC2)N2CCC(C)CC2)c(OC)c1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
The InChIKey is IMFWUPWWNZWCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-16-11-13-26(14-12-16)21(19-10-9-18(28-2)15-20(19)29-3)22-23-24-25-27(22)17-7-5-4-6-8-17/h9-10,15-17,21H,4-8,11-14H2,1-3H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine has a molecular weight of 399.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 3201608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).