5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine

C14H24N2 — CID 106224696

IUPAC5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine
SMILESC#CC(CCC)N1CC(C2CC2)NCC1C
InChIInChI=1S/C14H24N2/c1-4-6-13(5-2)16-10-14(12-7-8-12)15-9-11(16)3/h2,11-15H,4,6-10H2,1,3H3
InChIKeyQPFMZYCYBLYCNC-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds4

About 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine

5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine (PubChem CID 106224696) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine
PubChem CID106224696
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine
SMILESC#CC(CCC)N1CC(C2CC2)NCC1C
InChIInChI=1S/C14H24N2/c1-4-6-13(5-2)16-10-14(12-7-8-12)15-9-11(16)3/h2,11-15H,4,6-10H2,1,3H3
InChIKeyQPFMZYCYBLYCNC-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-tert-butyl-2-methyl-1-pent-1-yn-3-ylpiperazine
CID 106224574
2-methyl-1-pent-1-yn-3-yl-5-propan-2-ylpiperazine
CID 106224486
2-butan-2-yl-5-cyclopropyl-1-pentan-2-ylpiperazine
CID 114013068
5-cyclopropyl-2-methyl-1-(1-pyridin-4-ylethyl)piperazine
CID 64933586
5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
CID 106211645
5-cyclohexyl-2-methyl-1-(2-methylpentyl)piperazine
CID 64860363
5-cyclopropyl-2-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64948199
3-cyclohexyl-7-methyl-1-pentan-2-yl-1,4-diazepane
CID 107888744
2-butan-2-yl-5-cyclopropyl-1-propan-2-ylpiperazine
CID 64860502
1-hex-1-yn-3-yl-2-phenyl-5-propan-2-ylpiperazine
CID 106224606
5-cyclopropyl-2-methyl-1-(4-propoxyphenyl)piperazine
CID 64946803
5-butan-2-yl-1-but-3-yn-2-yl-2-methylpiperazine
CID 114420432

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine (CID 106224696) is 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine is C#CC(CCC)N1CC(C2CC2)NCC1C.
What is the InChIKey of 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine?
The InChIKey is QPFMZYCYBLYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-13(5-2)16-10-14(12-7-8-12)15-9-11(16)3/h2,11-15H,4,6-10H2,1,3H3.
What are the key properties of 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine?
5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine has a molecular weight of 220.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-hex-1-yn-3-yl-2-methylpiperazine is sourced from PubChem (CID 106224696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).