3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine

C13H22N2 — CID 106221906

IUPAC3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine
SMILESC#CCCCN1CCNC(C)(C2CC2)C1
InChIInChI=1S/C13H22N2/c1-3-4-5-9-15-10-8-14-13(2,11-15)12-6-7-12/h1,12,14H,4-11H2,2H3
InChIKeyPOGOWECAYURYQZ-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.47
Rot. Bonds4

About 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine

3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine (PubChem CID 106221906) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine
PubChem CID106221906
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine
SMILESC#CCCCN1CCNC(C)(C2CC2)C1
InChIInChI=1S/C13H22N2/c1-3-4-5-9-15-10-8-14-13(2,11-15)12-6-7-12/h1,12,14H,4-11H2,2H3
InChIKeyPOGOWECAYURYQZ-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine?
The IUPAC name of 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine (CID 106221906) is 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine.
What is the SMILES notation for 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine?
The canonical SMILES for 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine is C#CCCCN1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine?
The InChIKey is POGOWECAYURYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-3-4-5-9-15-10-8-14-13(2,11-15)12-6-7-12/h1,12,14H,4-11H2,2H3.
What are the key properties of 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine?
3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine has a molecular weight of 206.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine is sourced from PubChem (CID 106221906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).