ethane;N-piperidin-4-ylformamide

C8H18N2O — CID 142035291

IUPACethane;N-piperidin-4-ylformamide
SMILESCC.O=CNC1CCNCC1
InChIInChI=1S/C6H12N2O.C2H6/c9-5-8-6-1-3-7-4-2-6;1-2/h5-7H,1-4H2,(H,8,9);1-2H3
InChIKeyBFIILFILSJJCHX-UHFFFAOYSA-N
MW158.25 g/mol
LogP0.51
Rot. Bonds2

About ethane;N-piperidin-4-ylformamide

ethane;N-piperidin-4-ylformamide (PubChem CID 142035291) has the molecular formula C8H18N2O and a molecular weight of 158.25 g/mol. Its IUPAC name is ethane;N-piperidin-4-ylformamide.

Molecular Properties

Compound Nameethane;N-piperidin-4-ylformamide
PubChem CID142035291
Molecular FormulaC8H18N2O
Molecular Weight158.25 g/mol
Exact Mass158.14
IUPAC Nameethane;N-piperidin-4-ylformamide
SMILESCC.O=CNC1CCNCC1
InChIInChI=1S/C6H12N2O.C2H6/c9-5-8-6-1-3-7-4-2-6;1-2/h5-7H,1-4H2,(H,8,9);1-2H3
InChIKeyBFIILFILSJJCHX-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

fluoromethane;N-piperidin-4-ylformamide
CID 144898161
N-cyclohexylformamide;ethane
CID 143536975
N-cyclobutylformamide;methanol
CID 142523729
N-tert-butylpiperidin-4-amine;formic acid
CID 175154114
ethane;2-methylpropanal;N-methylpyrrolidin-3-amine
CID 171505368
N-(2,2-difluorospiro[2.4]heptan-6-yl)formamide
CID 144845305
cyclobutanol;ethane;4-(piperidin-4-ylamino)cyclohexan-1-ol
CID 156720236
N-[(2S)-pyrrolidin-2-yl]formamide
CID 91588342
N-(azetidin-2-yl)formamide
CID 87537785
2,2-dimethylpropanal;N-methylpyrrolidin-3-amine
CID 171505499
N-(5-methylpiperidin-3-yl)formamide;hydrochloride
CID 175089346
N-piperidin-4-ylcyclopropanecarboxamide
CID 1445166

Frequently Asked Questions

What is the IUPAC name of ethane;N-piperidin-4-ylformamide?
The IUPAC name of ethane;N-piperidin-4-ylformamide (CID 142035291) is ethane;N-piperidin-4-ylformamide.
What is the SMILES notation for ethane;N-piperidin-4-ylformamide?
The canonical SMILES for ethane;N-piperidin-4-ylformamide is CC.O=CNC1CCNCC1.
What is the InChIKey of ethane;N-piperidin-4-ylformamide?
The InChIKey is BFIILFILSJJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H6/c9-5-8-6-1-3-7-4-2-6;1-2/h5-7H,1-4H2,(H,8,9);1-2H3.
What are the key properties of ethane;N-piperidin-4-ylformamide?
ethane;N-piperidin-4-ylformamide has a molecular weight of 158.25 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-piperidin-4-ylformamide is sourced from PubChem (CID 142035291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).