1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine

C20H30N6 — CID 3208667

IUPAC1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N6/c1-2-19(20-21-22-23-26(20)18-10-6-7-11-18)25-14-12-24(13-15-25)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3
InChIKeyWLGOHIULZPTVTC-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.06
Rot. Bonds6

About 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine

1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine (PubChem CID 3208667) has the molecular formula C20H30N6 and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine
PubChem CID3208667
Molecular FormulaC20H30N6
Molecular Weight354.50 g/mol
Exact Mass354.25
IUPAC Name1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H30N6/c1-2-19(20-21-22-23-26(20)18-10-6-7-11-18)25-14-12-24(13-15-25)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3
InChIKeyWLGOHIULZPTVTC-UHFFFAOYSA-N
XLogP3.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine?
The IUPAC name of 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine (CID 3208667) is 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine?
The canonical SMILES for 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine is CCC(c1nnnn1C1CCCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine?
The InChIKey is WLGOHIULZPTVTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6/c1-2-19(20-21-22-23-26(20)18-10-6-7-11-18)25-14-12-24(13-15-25)16-17-8-4-3-5-9-17/h3-5,8-9,18-19H,2,6-7,10-16H2,1H3.
What are the key properties of 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine?
1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine has a molecular weight of 354.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperazine is sourced from PubChem (CID 3208667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).