2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

C20H33N7 — CID 75431223

IUPAC2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccc(C)nc2)CCN1Cc1nnnn1C(C)C
InChIInChI=1S/C20H33N7/c1-6-16(4)19-13-25(12-18-8-7-17(5)21-11-18)9-10-26(19)14-20-22-23-24-27(20)15(2)3/h7-8,11,15-16,19H,6,9-10,12-14H2,1-5H3
InChIKeyVAXINKBTIYLCRF-UHFFFAOYSA-N
MW371.53 g/mol
LogP2.69
Rot. Bonds7

About 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine

2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine (PubChem CID 75431223) has the molecular formula C20H33N7 and a molecular weight of 371.53 g/mol. Its IUPAC name is 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine.

Molecular Properties

Compound Name2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
PubChem CID75431223
Molecular FormulaC20H33N7
Molecular Weight371.53 g/mol
Exact Mass371.28
IUPAC Name2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine
SMILESCCC(C)C1CN(Cc2ccc(C)nc2)CCN1Cc1nnnn1C(C)C
InChIInChI=1S/C20H33N7/c1-6-16(4)19-13-25(12-18-8-7-17(5)21-11-18)9-10-26(19)14-20-22-23-24-27(20)15(2)3/h7-8,11,15-16,19H,6,9-10,12-14H2,1-5H3
InChIKeyVAXINKBTIYLCRF-UHFFFAOYSA-N
XLogP2.69
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The IUPAC name of 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine (CID 75431223) is 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine.
What is the SMILES notation for 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The canonical SMILES for 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine is CCC(C)C1CN(Cc2ccc(C)nc2)CCN1Cc1nnnn1C(C)C.
What is the InChIKey of 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
The InChIKey is VAXINKBTIYLCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N7/c1-6-16(4)19-13-25(12-18-8-7-17(5)21-11-18)9-10-26(19)14-20-22-23-24-27(20)15(2)3/h7-8,11,15-16,19H,6,9-10,12-14H2,1-5H3.
What are the key properties of 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine?
2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine has a molecular weight of 371.53 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-[(6-methyl-3-pyridinyl)methyl]-1-[(1-propan-2-yltetrazol-5-yl)methyl]piperazine is sourced from PubChem (CID 75431223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).