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

C21H26N6 — CID 3207268

IUPAC1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N6/c1-2-20(21-22-23-24-27(21)17-18-9-5-3-6-10-18)26-15-13-25(14-16-26)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyCGWTXWPGFTZGBW-UHFFFAOYSA-N
MW362.48 g/mol
LogP2.99
Rot. Bonds6

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

1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine (PubChem CID 3207268) has the molecular formula C21H26N6 and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine
PubChem CID3207268
Molecular FormulaC21H26N6
Molecular Weight362.48 g/mol
Exact Mass362.22
IUPAC Name1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine
SMILESCCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H26N6/c1-2-20(21-22-23-24-27(21)17-18-9-5-3-6-10-18)26-15-13-25(14-16-26)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3
InChIKeyCGWTXWPGFTZGBW-UHFFFAOYSA-N
XLogP2.99
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine?
The IUPAC name of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine (CID 3207268) is 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine is CCC(c1nnnn1Cc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine?
The InChIKey is CGWTXWPGFTZGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6/c1-2-20(21-22-23-24-27(21)17-18-9-5-3-6-10-18)26-15-13-25(14-16-26)19-11-7-4-8-12-19/h3-12,20H,2,13-17H2,1H3.
What are the key properties of 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine?
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine has a molecular weight of 362.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-benzyltetrazol-5-yl)propyl]-4-phenylpiperazine is sourced from PubChem (CID 3207268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).