1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine

C19H28N6 — CID 647993

IUPAC1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N6/c1-2-18(19-20-21-22-25(19)17-10-6-7-11-17)24-14-12-23(13-15-24)16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyCLQOXGKZKMOMJC-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.06
Rot. Bonds5

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

1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine (PubChem CID 647993) has the molecular formula C19H28N6 and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine
PubChem CID647993
Molecular FormulaC19H28N6
Molecular Weight340.47 g/mol
Exact Mass340.24
IUPAC Name1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine
SMILESCCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H28N6/c1-2-18(19-20-21-22-25(19)17-10-6-7-11-17)24-14-12-23(13-15-24)16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3
InChIKeyCLQOXGKZKMOMJC-UHFFFAOYSA-N
XLogP3.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine (CID 647993) is 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine is CCC(c1nnnn1C1CCCC1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine?
The InChIKey is CLQOXGKZKMOMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6/c1-2-18(19-20-21-22-25(19)17-10-6-7-11-17)24-14-12-23(13-15-24)16-8-4-3-5-9-16/h3-5,8-9,17-18H,2,6-7,10-15H2,1H3.
What are the key properties of 1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine?
1-[1-(1-cyclopentyltetrazol-5-yl)propyl]-4-phenylpiperazine has a molecular weight of 340.47 g/mol, XLogP of 3.06, 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)propyl]-4-phenylpiperazine is sourced from PubChem (CID 647993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).