1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine

C21H25FN6 — CID 43812315

IUPAC1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
SMILESCC(C)n1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25FN6/c1-16(2)28-21(23-24-25-28)20(18-10-6-7-11-19(18)22)27-14-12-26(13-15-27)17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyNPSDMPSKVLHUBR-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.30
Rot. Bonds5

About 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine

1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine (PubChem CID 43812315) has the molecular formula C21H25FN6 and a molecular weight of 380.47 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
PubChem CID43812315
Molecular FormulaC21H25FN6
Molecular Weight380.47 g/mol
Exact Mass380.21
IUPAC Name1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
SMILESCC(C)n1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H25FN6/c1-16(2)28-21(23-24-25-28)20(18-10-6-7-11-19(18)22)27-14-12-26(13-15-27)17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3
InChIKeyNPSDMPSKVLHUBR-UHFFFAOYSA-N
XLogP3.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine (CID 43812315) is 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine is CC(C)n1nnnc1C(c1ccccc1F)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
The InChIKey is NPSDMPSKVLHUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN6/c1-16(2)28-21(23-24-25-28)20(18-10-6-7-11-19(18)22)27-14-12-26(13-15-27)17-8-4-3-5-9-17/h3-11,16,20H,12-15H2,1-2H3.
What are the key properties of 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine?
1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine has a molecular weight of 380.47 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 43812315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).