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

C21H31N5O2 — CID 646517

IUPAC1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C21H31N5O2/c1-15-10-12-25(13-11-15)20(18-9-8-17(27-2)14-19(18)28-3)21-22-23-24-26(21)16-6-4-5-7-16/h8-9,14-16,20H,4-7,10-13H2,1-3H3
InChIKeyHESAYFLMAHLMGI-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.63
Rot. Bonds6

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

1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine (PubChem CID 646517) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
PubChem CID646517
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine
SMILESCOc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)c(OC)c1
InChIInChI=1S/C21H31N5O2/c1-15-10-12-25(13-11-15)20(18-9-8-17(27-2)14-19(18)28-3)21-22-23-24-26(21)16-6-4-5-7-16/h8-9,14-16,20H,4-7,10-13H2,1-3H3
InChIKeyHESAYFLMAHLMGI-UHFFFAOYSA-N
XLogP3.63
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine (CID 646517) is 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine is COc1ccc(C(c2nnnn2C2CCCC2)N2CCC(C)CC2)c(OC)c1.
What is the InChIKey of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
The InChIKey is HESAYFLMAHLMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c1-15-10-12-25(13-11-15)20(18-9-8-17(27-2)14-19(18)28-3)21-22-23-24-26(21)16-6-4-5-7-16/h8-9,14-16,20H,4-7,10-13H2,1-3H3.
What are the key properties of 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine?
1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine has a molecular weight of 385.51 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopentyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 646517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).