1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine

C22H34N6O — CID 3208700

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine
SMILESCCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H34N6O/c1-3-4-9-21(22-23-24-25-28(22)19-7-5-6-8-19)27-16-14-26(15-17-27)18-10-12-20(29-2)13-11-18/h10-13,19,21H,3-9,14-17H2,1-2H3
InChIKeyVMELBMIAJUKECE-UHFFFAOYSA-N
MW398.56 g/mol
LogP3.85
Rot. Bonds8

About 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine

1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 3208700) has the molecular formula C22H34N6O and a molecular weight of 398.56 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine
PubChem CID3208700
Molecular FormulaC22H34N6O
Molecular Weight398.56 g/mol
Exact Mass398.28
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine
SMILESCCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccc(OC)cc2)CC1
InChIInChI=1S/C22H34N6O/c1-3-4-9-21(22-23-24-25-28(22)19-7-5-6-8-19)27-16-14-26(15-17-27)18-10-12-20(29-2)13-11-18/h10-13,19,21H,3-9,14-17H2,1-2H3
InChIKeyVMELBMIAJUKECE-UHFFFAOYSA-N
XLogP3.85
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208679
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 1443256
1-[1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazine
CID 3208545
1-[(1S)-1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383783
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)propyl]-4-(3-methoxyphenyl)piperazine
CID 1443209
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)pentyl]-4-cyclopentylpiperazine
CID 7383612
1-[(1R)-1-(1-cyclohexyltetrazol-5-yl)butyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383579
1-[1-(1-cyclopentyltetrazol-5-yl)butyl]-4-(2-methoxyphenyl)piperazine
CID 3208678
1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-phenylpiperazine;hydrochloride
CID 175654215
1-[(1S)-1-[1-(2-methoxyethyl)tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 7388226
1-[(1R)-1-(1-cyclopentyltetrazol-5-yl)-3-methylbutyl]-4-(4-methoxyphenyl)piperazin-1-ium
CID 7383798
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-6-ethyl-1H-quinolin-2-one
CID 1148171

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine (CID 3208700) is 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine is CCCCC(c1nnnn1C1CCCC1)N1CCN(c2ccc(OC)cc2)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is VMELBMIAJUKECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N6O/c1-3-4-9-21(22-23-24-25-28(22)19-7-5-6-8-19)27-16-14-26(15-17-27)18-10-12-20(29-2)13-11-18/h10-13,19,21H,3-9,14-17H2,1-2H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine has a molecular weight of 398.56 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-cyclopentyltetrazol-5-yl)pentyl]-4-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 3208700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).