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

C14H24N2 — CID 106224689

IUPAC3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine
SMILESC#CC(CCC)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C14H24N2/c1-4-6-13(5-2)16-10-9-15-14(3,11-16)12-7-8-12/h2,12-13,15H,4,6-11H2,1,3H3
InChIKeyOKSDPTICZGFPGU-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.86
Rot. Bonds4

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

3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine (PubChem CID 106224689) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine
PubChem CID106224689
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine
SMILESC#CC(CCC)N1CCNC(C)(C2CC2)C1
InChIInChI=1S/C14H24N2/c1-4-6-13(5-2)16-10-9-15-14(3,11-16)12-7-8-12/h2,12-13,15H,4,6-11H2,1,3H3
InChIKeyOKSDPTICZGFPGU-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

3-cyclopropyl-3-methyl-1-octan-4-ylpiperazine
CID 114138502
1-(1-cyclopentylethyl)-3-cyclopropyl-3-methylpiperazine
CID 64953435
3-cyclopropyl-3-methyl-1-(4-phenylbutan-2-yl)piperazine
CID 64952529
3-cyclopropyl-3-methyl-1-propan-2-yl-1,4-diazepane
CID 64871487
3-cyclopropyl-3-methyl-1-pent-4-ynylpiperazine
CID 106221906
3-cyclopropyl-3-methyl-1-octylpiperazine
CID 64833492
3-cyclopropyl-3,7-dimethyl-1-(2-methylpentyl)-1,4-diazepane
CID 64870416
3-cyclopropyl-3-methyl-1-(3-methylpentan-3-yl)piperazine
CID 106329737
1-[1-(4-chlorophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926135
1-[1-(4-bromophenyl)ethyl]-3-cyclopropyl-3-methylpiperazine
CID 64926142
3-cyclopropyl-3-methyl-1-[1-(2-methylphenyl)ethyl]piperazine
CID 64926146
3-cyclopropyl-1-(1-cyclopropylpropan-2-yl)-3-methyl-1,4-diazepane
CID 64951209

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine?
The IUPAC name of 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine (CID 106224689) is 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine.
What is the SMILES notation for 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine?
The canonical SMILES for 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine is C#CC(CCC)N1CCNC(C)(C2CC2)C1.
What is the InChIKey of 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine?
The InChIKey is OKSDPTICZGFPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-4-6-13(5-2)16-10-9-15-14(3,11-16)12-7-8-12/h2,12-13,15H,4,6-11H2,1,3H3.
What are the key properties of 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine?
3-cyclopropyl-1-hex-1-yn-3-yl-3-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 3-cyclopropyl-1-hex-1-yn-3-yl-3-methylpiperazine is sourced from PubChem (CID 106224689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).