1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine

C20H24N6 — CID 3201696

IUPAC1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyFFNIMQCKAVUSKV-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.06
Rot. Bonds5

About 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine

1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine (PubChem CID 3201696) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
PubChem CID3201696
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine
SMILESCN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3
InChIKeyFFNIMQCKAVUSKV-UHFFFAOYSA-N
XLogP2.06
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine (CID 3201696) is 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine is CN1CCN(C(c2ccccc2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine?
The InChIKey is FFNIMQCKAVUSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-24-12-14-25(15-13-24)19(18-10-6-3-7-11-18)20-21-22-23-26(20)16-17-8-4-2-5-9-17/h2-11,19H,12-16H2,1H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine?
1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine has a molecular weight of 348.45 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 3201696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).