ethane;formic acid;1-methylpiperidine

C11H27NO2 — CID 142182164

IUPACethane;formic acid;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.O=CO
InChIInChI=1S/C6H13N.2C2H6.CH2O2/c1-7-5-3-2-4-6-7;2*1-2;2-1-3/h2-6H2,1H3;2*1-2H3;1H,(H,2,3)
InChIKeySRYMWDLNGLTJOP-UHFFFAOYSA-N
MW205.34 g/mol
LogP2.86
Rot. Bonds

About ethane;formic acid;1-methylpiperidine

ethane;formic acid;1-methylpiperidine (PubChem CID 142182164) has the molecular formula C11H27NO2 and a molecular weight of 205.34 g/mol. Its IUPAC name is ethane;formic acid;1-methylpiperidine.

Molecular Properties

Compound Nameethane;formic acid;1-methylpiperidine
PubChem CID142182164
Molecular FormulaC11H27NO2
Molecular Weight205.34 g/mol
Exact Mass205.20
IUPAC Nameethane;formic acid;1-methylpiperidine
SMILESCC.CC.CN1CCCCC1.O=CO
InChIInChI=1S/C6H13N.2C2H6.CH2O2/c1-7-5-3-2-4-6-7;2*1-2;2-1-3/h2-6H2,1H3;2*1-2H3;1H,(H,2,3)
InChIKeySRYMWDLNGLTJOP-UHFFFAOYSA-N
XLogP2.86
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;methanol;1-methylazepane
CID 171650925
ethane;1-methylazonane
CID 145157770
cyclohexane;cyclopentane;ethane;bis(1-methylpiperidine);bis(1-methylpyrrolidine)
CID 161378363
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1-methylpiperidine
CID 160757527
ethane;bis(1-methylpyrrolidine)
CID 153385238
1-methylpiperidine
CID 90254979
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
azane;ethane;methane;1-methylpiperidine
CID 159571038
CID 68772535
CID 68772535

Frequently Asked Questions

What is the IUPAC name of ethane;formic acid;1-methylpiperidine?
The IUPAC name of ethane;formic acid;1-methylpiperidine (CID 142182164) is ethane;formic acid;1-methylpiperidine.
What is the SMILES notation for ethane;formic acid;1-methylpiperidine?
The canonical SMILES for ethane;formic acid;1-methylpiperidine is CC.CC.CN1CCCCC1.O=CO.
What is the InChIKey of ethane;formic acid;1-methylpiperidine?
The InChIKey is SRYMWDLNGLTJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.2C2H6.CH2O2/c1-7-5-3-2-4-6-7;2*1-2;2-1-3/h2-6H2,1H3;2*1-2H3;1H,(H,2,3).
What are the key properties of ethane;formic acid;1-methylpiperidine?
ethane;formic acid;1-methylpiperidine has a molecular weight of 205.34 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;formic acid;1-methylpiperidine is sourced from PubChem (CID 142182164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).