1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine

C19H30N6 — CID 3209417

IUPAC1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine
SMILESCC(C)CC(c1nnnn1C(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N6/c1-15(2)14-18(19-20-21-22-25(19)16(3)4)24-12-10-23(11-13-24)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3
InChIKeyMTVVHDQIPCZQRQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.16
Rot. Bonds6

About 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine

1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine (PubChem CID 3209417) has the molecular formula C19H30N6 and a molecular weight of 342.49 g/mol. Its IUPAC name is 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine
PubChem CID3209417
Molecular FormulaC19H30N6
Molecular Weight342.49 g/mol
Exact Mass342.25
IUPAC Name1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine
SMILESCC(C)CC(c1nnnn1C(C)C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H30N6/c1-15(2)14-18(19-20-21-22-25(19)16(3)4)24-12-10-23(11-13-24)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3
InChIKeyMTVVHDQIPCZQRQ-UHFFFAOYSA-N
XLogP3.16
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine?
The IUPAC name of 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine (CID 3209417) is 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine?
The canonical SMILES for 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine is CC(C)CC(c1nnnn1C(C)C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine?
The InChIKey is MTVVHDQIPCZQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6/c1-15(2)14-18(19-20-21-22-25(19)16(3)4)24-12-10-23(11-13-24)17-8-6-5-7-9-17/h5-9,15-16,18H,10-14H2,1-4H3.
What are the key properties of 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine?
1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine has a molecular weight of 342.49 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(1-propan-2-yltetrazol-5-yl)butyl]-4-phenylpiperazine is sourced from PubChem (CID 3209417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).