1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine

C22H34N6 — CID 3208685

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(C(c3nnnn3C3CCCC3)C(C)C)CC2)c1C
InChIInChI=1S/C22H34N6/c1-16(2)21(22-23-24-25-28(22)19-9-5-6-10-19)27-14-12-26(13-15-27)20-11-7-8-17(3)18(20)4/h7-8,11,16,19,21H,5-6,9-10,12-15H2,1-4H3
InChIKeyGASGGZLVVMRZJF-UHFFFAOYSA-N
MW382.56 g/mol
LogP3.92
Rot. Bonds5

About 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine

1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine (PubChem CID 3208685) has the molecular formula C22H34N6 and a molecular weight of 382.56 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
PubChem CID3208685
Molecular FormulaC22H34N6
Molecular Weight382.56 g/mol
Exact Mass382.28
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
SMILESCc1cccc(N2CCN(C(c3nnnn3C3CCCC3)C(C)C)CC2)c1C
InChIInChI=1S/C22H34N6/c1-16(2)21(22-23-24-25-28(22)19-9-5-6-10-19)27-14-12-26(13-15-27)20-11-7-8-17(3)18(20)4/h7-8,11,16,19,21H,5-6,9-10,12-15H2,1-4H3
InChIKeyGASGGZLVVMRZJF-UHFFFAOYSA-N
XLogP3.92
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.56
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine (CID 3208685) is 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine is Cc1cccc(N2CCN(C(c3nnnn3C3CCCC3)C(C)C)CC2)c1C.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
The InChIKey is GASGGZLVVMRZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6/c1-16(2)21(22-23-24-25-28(22)19-9-5-6-10-19)27-14-12-26(13-15-27)20-11-7-8-17(3)18(20)4/h7-8,11,16,19,21H,5-6,9-10,12-15H2,1-4H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine has a molecular weight of 382.56 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine is sourced from PubChem (CID 3208685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).