1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine

C16H30N6 — CID 646926

IUPAC1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine
SMILESCCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H30N6/c1-4-15(16-17-18-19-22(16)13(2)3)21-11-9-20(10-12-21)14-7-5-6-8-14/h13-15H,4-12H2,1-3H3
InChIKeyWZKXYLMCVQJFFS-UHFFFAOYSA-N
MW306.46 g/mol
LogP2.27
Rot. Bonds5

About 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine

1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine (PubChem CID 646926) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine
PubChem CID646926
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine
SMILESCCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H30N6/c1-4-15(16-17-18-19-22(16)13(2)3)21-11-9-20(10-12-21)14-7-5-6-8-14/h13-15H,4-12H2,1-3H3
InChIKeyWZKXYLMCVQJFFS-UHFFFAOYSA-N
XLogP2.27
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine (CID 646926) is 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine is CCC(c1nnnn1C(C)C)N1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine?
The InChIKey is WZKXYLMCVQJFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-4-15(16-17-18-19-22(16)13(2)3)21-11-9-20(10-12-21)14-7-5-6-8-14/h13-15H,4-12H2,1-3H3.
What are the key properties of 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine?
1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine has a molecular weight of 306.46 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[1-(1-propan-2-yltetrazol-5-yl)propyl]piperazine is sourced from PubChem (CID 646926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).