1-ethyl-4-hexylpiperazine;N-methylformamide

C14H31N3O — CID 142390895

IUPAC1-ethyl-4-hexylpiperazine;N-methylformamide
SMILESCCCCCCN1CCN(CC)CC1.CNC=O
InChIInChI=1S/C12H26N2.C2H5NO/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-2-4/h3-12H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyITBZROSFXVHAKI-UHFFFAOYSA-N
MW257.42 g/mol
LogP1.57
Rot. Bonds7

About 1-ethyl-4-hexylpiperazine;N-methylformamide

1-ethyl-4-hexylpiperazine;N-methylformamide (PubChem CID 142390895) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-ethyl-4-hexylpiperazine;N-methylformamide.

Molecular Properties

Compound Name1-ethyl-4-hexylpiperazine;N-methylformamide
PubChem CID142390895
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-ethyl-4-hexylpiperazine;N-methylformamide
SMILESCCCCCCN1CCN(CC)CC1.CNC=O
InChIInChI=1S/C12H26N2.C2H5NO/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-2-4/h3-12H2,1-2H3;2H,1H3,(H,3,4)
InChIKeyITBZROSFXVHAKI-UHFFFAOYSA-N
XLogP1.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-piperidin-1-ylethyl)formamide
CID 21957372
N-[2-(4-propylpiperazin-1-yl)ethyl]formamide
CID 18695560
N-(1-propylpiperidin-3-yl)formamide
CID 20081712
4-[2-(Butylamino)ethyl]piperazine-1-carbaldehyde
CID 20337106
piperidine N,N-dimethylformamide
CID 23501187
4-Pentylpiperazine-1-carbaldehyde
CID 53663057
4-(2-Aminoethylamino)piperidine-1-carbaldehyde
CID 53985488
N-[2-[hexyl(methyl)amino]ethyl]formamide
CID 54347817
N-[2-(4-methylpiperidin-1-yl)ethyl]formamide
CID 64992287
N-(1-ethylpiperidin-3-yl)formamide
CID 64992543
N-[3-(2-methylpiperidin-1-yl)propyl]formamide
CID 64992718
1,2-Dimethylpiperidine;formamide
CID 69034748

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-hexylpiperazine;N-methylformamide?
The IUPAC name of 1-ethyl-4-hexylpiperazine;N-methylformamide (CID 142390895) is 1-ethyl-4-hexylpiperazine;N-methylformamide.
What is the SMILES notation for 1-ethyl-4-hexylpiperazine;N-methylformamide?
The canonical SMILES for 1-ethyl-4-hexylpiperazine;N-methylformamide is CCCCCCN1CCN(CC)CC1.CNC=O.
What is the InChIKey of 1-ethyl-4-hexylpiperazine;N-methylformamide?
The InChIKey is ITBZROSFXVHAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2.C2H5NO/c1-3-5-6-7-8-14-11-9-13(4-2)10-12-14;1-3-2-4/h3-12H2,1-2H3;2H,1H3,(H,3,4).
What are the key properties of 1-ethyl-4-hexylpiperazine;N-methylformamide?
1-ethyl-4-hexylpiperazine;N-methylformamide has a molecular weight of 257.42 g/mol, XLogP of 1.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-hexylpiperazine;N-methylformamide is sourced from PubChem (CID 142390895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).