1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine

C14H26N2 — CID 106211794

IUPAC1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
SMILESC#CCCCCN1CC(C(C)C)NCC1C
InChIInChI=1S/C14H26N2/c1-5-6-7-8-9-16-11-14(12(2)3)15-10-13(16)4/h1,12-15H,6-11H2,2-4H3
InChIKeyOUYSCMOUXDRSBB-UHFFFAOYSA-N
MW222.38 g/mol
LogP2.11
Rot. Bonds5

About 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine

1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine (PubChem CID 106211794) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
PubChem CID106211794
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine
SMILESC#CCCCCN1CC(C(C)C)NCC1C
InChIInChI=1S/C14H26N2/c1-5-6-7-8-9-16-11-14(12(2)3)15-10-13(16)4/h1,12-15H,6-11H2,2-4H3
InChIKeyOUYSCMOUXDRSBB-UHFFFAOYSA-N
XLogP2.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.11
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

1-heptyl-2-methyl-5-propan-2-ylpiperazine
CID 64833309
2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
2-methyl-1-(4-methylpentyl)-5-propan-2-ylpiperazine
CID 64937614
2-methyl-5-propan-2-yl-1-(2-prop-2-ynylsulfanylethyl)piperazine
CID 106432746
2-methyl-5-propan-2-yl-1-(4-propan-2-yloxybutyl)piperazine
CID 106008768
5-cyclopropyl-1-hex-5-ynyl-2-methylpiperazine
CID 106211645
1-[3-(cyclopropylmethoxy)propyl]-2-methyl-5-propan-2-ylpiperazine
CID 114097844
1-(2,2-difluoroethyl)-2-methyl-5-propan-2-ylpiperazine
CID 64831726
2-methyl-5-propan-2-yl-1-[(2,2,3,3-tetramethylcyclopropyl)methyl]piperazine
CID 79350021
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920
2-methyl-1-pent-4-ynyl-5-phenylpiperazine
CID 114160139
2-methyl-1-(2-phenylethyl)-5-propan-2-ylpiperazine
CID 64833712

Frequently Asked Questions

What is the IUPAC name of 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine (CID 106211794) is 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine is C#CCCCCN1CC(C(C)C)NCC1C.
What is the InChIKey of 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine?
The InChIKey is OUYSCMOUXDRSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-5-6-7-8-9-16-11-14(12(2)3)15-10-13(16)4/h1,12-15H,6-11H2,2-4H3.
What are the key properties of 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine?
1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine has a molecular weight of 222.38 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hex-5-ynyl-2-methyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 106211794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).