5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine

C14H24N2 — CID 106211645

IUPAC5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
SMILESC#CCCCCN1CC(C2CC2)NCC1C
InChIInChI=1S/C14H24N2/c1-3-4-5-6-9-16-11-14(13-7-8-13)15-10-12(16)2/h1,12-15H,4-11H2,2H3
InChIKeyHKSXMLXGVCLVNN-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds5

About 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine

5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine (PubChem CID 106211645) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine.

Molecular Properties

Compound Name5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
PubChem CID106211645
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
SMILESC#CCCCCN1CC(C2CC2)NCC1C
InChIInChI=1S/C14H24N2/c1-3-4-5-6-9-16-11-14(13-7-8-13)15-10-12(16)2/h1,12-15H,4-11H2,2H3
InChIKeyHKSXMLXGVCLVNN-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-(5-cyclopropyl-2-methylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64946394
5-cyclohexyl-2-ethyl-1-hex-5-ynylpiperazine
CID 106211701
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
CID 106211794
5-cyclopropyl-2-methyl-1-(3-methylsulfonylpropyl)piperazine
CID 64862396
5-cyclopropyl-1-[2-(2-methoxyethoxy)ethyl]-2-methylpiperazine
CID 64862014
5-cyclohexyl-1-(3-methoxypropyl)-2-methylpiperazine
CID 64860169
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2,5-dicyclopropyl-1-pentylpiperazine
CID 64859934
5-cyclopropyl-2-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperazine
CID 114469746
1-[2-(cyclopenten-1-yl)ethyl]-5-cyclopropyl-2-methylpiperazine
CID 114153752
2-[2-(5-cyclopropyl-2-methylpiperazin-1-yl)ethyl]-1,3-thiazole
CID 64942156
6-methyl-1-pent-4-ynylpiperidine-3-carboxamide
CID 115873029

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine?
The IUPAC name of 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine (CID 106211645) is 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine.
What is the SMILES notation for 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine?
The canonical SMILES for 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine is C#CCCCCN1CC(C2CC2)NCC1C.
What is the InChIKey of 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine?
The InChIKey is HKSXMLXGVCLVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-4-5-6-9-16-11-14(13-7-8-13)15-10-12(16)2/h1,12-15H,4-11H2,2H3.
What are the key properties of 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine?
5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine has a molecular weight of 220.36 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine is sourced from PubChem (CID 106211645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).