ethane;2-ethyl-4-methylpiperidine

C12H29N — CID 142379207

IUPACethane;2-ethyl-4-methylpiperidine
SMILESCC.CC.CCC1CC(C)CCN1
InChIInChI=1S/C8H17N.2C2H6/c1-3-8-6-7(2)4-5-9-8;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyNEQWWELBFQUBAP-UHFFFAOYSA-N
MW187.37 g/mol
LogP3.84
Rot. Bonds1

About ethane;2-ethyl-4-methylpiperidine

ethane;2-ethyl-4-methylpiperidine (PubChem CID 142379207) has the molecular formula C12H29N and a molecular weight of 187.37 g/mol. Its IUPAC name is ethane;2-ethyl-4-methylpiperidine.

Molecular Properties

Compound Nameethane;2-ethyl-4-methylpiperidine
PubChem CID142379207
Molecular FormulaC12H29N
Molecular Weight187.37 g/mol
Exact Mass187.23
IUPAC Nameethane;2-ethyl-4-methylpiperidine
SMILESCC.CC.CCC1CC(C)CCN1
InChIInChI=1S/C8H17N.2C2H6/c1-3-8-6-7(2)4-5-9-8;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3
InChIKeyNEQWWELBFQUBAP-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[(2R,4S)-4-methylpiperidin-2-yl]methanol
CID 68711333
[(2R,4R)-4-methylpiperidin-2-yl]methanol
CID 68714845
ethane;2-ethylazetidine
CID 90717086
(2R,4R)-2-ethylpiperidin-4-ol
CID 82651055
4-methyl-2-(piperidin-2-ylmethyl)piperidine
CID 121010595
2-(2-cyclobutylethyl)-4-methylpiperidine
CID 130804318
2-ethyl-4,7-dimethylazepane
CID 123848676
2-ethyl-N,N-dimethylpiperidin-4-amine
CID 126971531
(4R)-2,4-dimethylpiperidine
CID 144551274
3-[(4-methylpiperidin-2-yl)methyl]-3-azabicyclo[3.1.0]hexane
CID 131185799
3-methyl-1-(4-methylpiperidin-2-yl)pentan-2-one
CID 165474384
N-[(4-methylpiperidin-2-yl)methyl]-N-propan-2-ylpropan-1-amine
CID 114421199

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-4-methylpiperidine?
The IUPAC name of ethane;2-ethyl-4-methylpiperidine (CID 142379207) is ethane;2-ethyl-4-methylpiperidine.
What is the SMILES notation for ethane;2-ethyl-4-methylpiperidine?
The canonical SMILES for ethane;2-ethyl-4-methylpiperidine is CC.CC.CCC1CC(C)CCN1.
What is the InChIKey of ethane;2-ethyl-4-methylpiperidine?
The InChIKey is NEQWWELBFQUBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.2C2H6/c1-3-8-6-7(2)4-5-9-8;2*1-2/h7-9H,3-6H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-4-methylpiperidine?
ethane;2-ethyl-4-methylpiperidine has a molecular weight of 187.37 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-4-methylpiperidine is sourced from PubChem (CID 142379207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).