1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine

C18H28N6 — CID 3368812

IUPAC1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C18H28N6/c1-5-22-11-13-23(14-12-22)16(15-9-7-6-8-10-15)17-19-20-21-24(17)18(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKeyJYYDZHORBXLXPS-UHFFFAOYSA-N
MW328.46 g/mol
LogP2.15
Rot. Bonds4

About 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine

1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine (PubChem CID 3368812) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine
PubChem CID3368812
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine
SMILESCCN1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1
InChIInChI=1S/C18H28N6/c1-5-22-11-13-23(14-12-22)16(15-9-7-6-8-10-15)17-19-20-21-24(17)18(2,3)4/h6-10,16H,5,11-14H2,1-4H3
InChIKeyJYYDZHORBXLXPS-UHFFFAOYSA-N
XLogP2.15
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine?
The IUPAC name of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine (CID 3368812) is 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine is CCN1CCN(C(c2ccccc2)c2nnnn2C(C)(C)C)CC1.
What is the InChIKey of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine?
The InChIKey is JYYDZHORBXLXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-5-22-11-13-23(14-12-22)16(15-9-7-6-8-10-15)17-19-20-21-24(17)18(2,3)4/h6-10,16H,5,11-14H2,1-4H3.
What are the key properties of 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine?
1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine has a molecular weight of 328.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-ethylpiperazine is sourced from PubChem (CID 3368812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).