1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

C17H26N6 — CID 1448648

IUPAC1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCC(C)CCn1nnnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N6/c1-15(2)8-9-23-17(18-19-20-23)14-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyKRIPUEIIVKBRDC-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.04
Rot. Bonds6

About 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine

1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (PubChem CID 1448648) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
PubChem CID1448648
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC Name1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine
SMILESCC(C)CCn1nnnc1CN1CCN(c2ccccc2)CC1
InChIInChI=1S/C17H26N6/c1-15(2)8-9-23-17(18-19-20-23)14-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3
InChIKeyKRIPUEIIVKBRDC-UHFFFAOYSA-N
XLogP2.04
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The IUPAC name of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine (CID 1448648) is 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is CC(C)CCn1nnnc1CN1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
The InChIKey is KRIPUEIIVKBRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-15(2)8-9-23-17(18-19-20-23)14-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-7,15H,8-14H2,1-2H3.
What are the key properties of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine?
1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine has a molecular weight of 314.44 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]-4-phenylpiperazine is sourced from PubChem (CID 1448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).