1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride

C22H28ClFN6 — CID 171668554

IUPAC1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C22H27FN6.ClH/c1-2-21(22-24-25-26-29(22)13-12-18-6-4-3-5-7-18)28-16-14-27(15-17-28)20-10-8-19(23)9-11-20;/h3-11,21H,2,12-17H2,1H3;1H
InChIKeyHQQLQKZHVCQNMR-UHFFFAOYSA-N
MW430.96 g/mol
LogP3.75
Rot. Bonds7

About 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride

1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride (PubChem CID 171668554) has the molecular formula C22H28ClFN6 and a molecular weight of 430.96 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
PubChem CID171668554
Molecular FormulaC22H28ClFN6
Molecular Weight430.96 g/mol
Exact Mass430.20
IUPAC Name1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
SMILESCCC(c1nnnn1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.Cl
InChIInChI=1S/C22H27FN6.ClH/c1-2-21(22-24-25-26-29(22)13-12-18-6-4-3-5-7-18)28-16-14-27(15-17-28)20-10-8-19(23)9-11-20;/h3-11,21H,2,12-17H2,1H3;1H
InChIKeyHQQLQKZHVCQNMR-UHFFFAOYSA-N
XLogP3.75
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.96
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

1-(2-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210461
1-methyl-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine
CID 3210459
1-(4-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3675225
1-(4-fluorophenyl)-4-[(R)-(4-methylphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]piperazine
CID 1449076
1-[1-[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 3210562
1-(2-fluorophenyl)-4-[(1R)-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 1448978
1-[(1S)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]-4-[(1R)-3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 98111409
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(4-fluorophenyl)piperazine
CID 1446070
1-(2-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3209776
1-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperidine-4-carboxamide
CID 3210464
1-(4-fluorophenyl)-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 23913682
1-(2-methoxyphenyl)-4-[3-methyl-1-[1-(2-phenylethyl)tetrazol-5-yl]butyl]piperazine
CID 43818141

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride (CID 171668554) is 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride is CCC(c1nnnn1CCc1ccccc1)N1CCN(c2ccc(F)cc2)CC1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
The InChIKey is HQQLQKZHVCQNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN6.ClH/c1-2-21(22-24-25-26-29(22)13-12-18-6-4-3-5-7-18)28-16-14-27(15-17-28)20-10-8-19(23)9-11-20;/h3-11,21H,2,12-17H2,1H3;1H.
What are the key properties of 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride?
1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride has a molecular weight of 430.96 g/mol, XLogP of 3.75, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-4-[1-[1-(2-phenylethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171668554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).