N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine

C20H24FN7 — CID 133294032

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
SMILESFc1ccccc1N1CCN(CCCNc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H24FN7/c21-18-9-4-5-10-19(18)27-15-13-26(14-16-27)12-6-11-22-20-23-24-25-28(20)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,23,25)
InChIKeyLXSSKANKKLQNQF-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.43
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine (PubChem CID 133294032) has the molecular formula C20H24FN7 and a molecular weight of 381.46 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
PubChem CID133294032
Molecular FormulaC20H24FN7
Molecular Weight381.46 g/mol
Exact Mass381.21
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine
SMILESFc1ccccc1N1CCN(CCCNc2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C20H24FN7/c21-18-9-4-5-10-19(18)27-15-13-26(14-16-27)12-6-11-22-20-23-24-25-28(20)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,23,25)
InChIKeyLXSSKANKKLQNQF-UHFFFAOYSA-N
XLogP2.43
TPSA62.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(1-phenyltetrazol-5-yl)propane-1,3-diamine
CID 24707793
4-[3-[(1-phenyltetrazol-5-yl)amino]propyl]-1,4-benzoxazin-3-one
CID 133330664
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-nitropyridin-2-amine
CID 133294018
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
5-[4-(2-fluorophenyl)piperazin-1-yl]pentanamide
CID 123618863
4-[4-(2-fluorophenyl)piperazin-1-yl]butanoic acid
CID 20994315
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]thieno[2,3-d]pyrimidin-4-amine
CID 133294022
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-phenylethanesulfonamide
CID 42389017
1-(4-methylphenyl)-N-(4-morpholin-4-ylbutyl)tetrazol-5-amine
CID 56816150
1-[3-[5-(4-chlorophenyl)-1-phenylpyrazol-3-yl]propyl]-4-(2-fluorophenyl)piperazine
CID 25066913

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine (CID 133294032) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine is Fc1ccccc1N1CCN(CCCNc2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine?
The InChIKey is LXSSKANKKLQNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN7/c21-18-9-4-5-10-19(18)27-15-13-26(14-16-27)12-6-11-22-20-23-24-25-28(20)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2,(H,22,23,25).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine has a molecular weight of 381.46 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 133294032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).