ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide

C17H38N4O — CID 142391074

IUPACethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide
SMILESCC.CCN1CCN(CCN2CCCCC2)CC1.CNC=O
InChIInChI=1S/C13H27N3.C2H5NO.C2H6/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;1-3-2-4;1-2/h2-13H2,1H3;2H,1H3,(H,3,4);1-2H3
InChIKeyKIZCHUYUDRVDMI-UHFFFAOYSA-N
MW314.52 g/mol
LogP1.50
Rot. Bonds5

About ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide

ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide (PubChem CID 142391074) has the molecular formula C17H38N4O and a molecular weight of 314.52 g/mol. Its IUPAC name is ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide.

Molecular Properties

Compound Nameethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide
PubChem CID142391074
Molecular FormulaC17H38N4O
Molecular Weight314.52 g/mol
Exact Mass314.30
IUPAC Nameethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide
SMILESCC.CCN1CCN(CCN2CCCCC2)CC1.CNC=O
InChIInChI=1S/C13H27N3.C2H5NO.C2H6/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;1-3-2-4;1-2/h2-13H2,1H3;2H,1H3,(H,3,4);1-2H3
InChIKeyKIZCHUYUDRVDMI-UHFFFAOYSA-N
XLogP1.50
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.52
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-4-hexylpiperazine;N-methylformamide
CID 142390895
Piperazine-1-carbaldehyde;piperidine
CID 142450231
1,4-dimethylpiperazine;N-piperidin-4-ylformamide
CID 143011244
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine;N-methylformamide
CID 153398657
N-ethyl-N'-[2-(4-methylpiperazin-1-yl)ethyl]butane-1,4-diamine;N-methylformamide
CID 156719788
Ethane;2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanamine;formaldehyde;molecular hydrogen
CID 156837051
N'-ethyl-N,N'-dimethylethane-1,2-diamine;1-methylpiperazine;4-methylpiperazine-1-carbaldehyde
CID 157724094
2-Methyl-1-propan-2-ylpiperazine;3-methyl-4-propan-2-ylpiperazine-1-carbaldehyde
CID 161049426
3,3-Dimethylbutan-1-amine;ethane;4-(piperazin-1-ylmethyl)piperidine-1-carbaldehyde
CID 163269334
N-methylmethanamine;4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]piperidine-1-carbaldehyde
CID 166106575
1-[2-(4-ethylpiperidin-1-yl)ethyl]-4-methylpiperazine;N-methylformamide
CID 172358977
1-Ethylpiperidine;piperazine-1-carbaldehyde
CID 172592732

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide?
The IUPAC name of ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide (CID 142391074) is ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide.
What is the SMILES notation for ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide?
The canonical SMILES for ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide is CC.CCN1CCN(CCN2CCCCC2)CC1.CNC=O.
What is the InChIKey of ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide?
The InChIKey is KIZCHUYUDRVDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3.C2H5NO.C2H6/c1-2-14-8-10-16(11-9-14)13-12-15-6-4-3-5-7-15;1-3-2-4;1-2/h2-13H2,1H3;2H,1H3,(H,3,4);1-2H3.
What are the key properties of ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide?
ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide has a molecular weight of 314.52 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-(2-piperidin-1-ylethyl)piperazine;N-methylformamide is sourced from PubChem (CID 142391074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).