4-ethyl-1-methylpiperidine;formonitrile

C9H18N2 — CID 175849532

IUPAC4-ethyl-1-methylpiperidine;formonitrile
SMILESC#N.CCC1CCN(C)CC1
InChIInChI=1S/C8H17N.CHN/c1-3-8-4-6-9(2)7-5-8;1-2/h8H,3-7H2,1-2H3;1H
InChIKeyMOSJCMOBQICPEV-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.88
Rot. Bonds1

About 4-ethyl-1-methylpiperidine;formonitrile

4-ethyl-1-methylpiperidine;formonitrile (PubChem CID 175849532) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 4-ethyl-1-methylpiperidine;formonitrile.

Molecular Properties

Compound Name4-ethyl-1-methylpiperidine;formonitrile
PubChem CID175849532
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name4-ethyl-1-methylpiperidine;formonitrile
SMILESC#N.CCC1CCN(C)CC1
InChIInChI=1S/C8H17N.CHN/c1-3-8-4-6-9(2)7-5-8;1-2/h8H,3-7H2,1-2H3;1H
InChIKeyMOSJCMOBQICPEV-UHFFFAOYSA-N
XLogP1.88
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
3-ethyl-1-methylpyrrolidine;methane
CID 161184146
bis(3-ethyl-1-methylpyrrolidine);1-methylpyrrolidine
CID 161292212
1,4-diethylpiperidine;1-ethyl-4-methylpiperazine
CID 143157970
4-ethyl-1-hexylpiperidine;formonitrile
CID 175874680
1,4-dimethylpiperidine;4-ethyl-1-methylpiperidine;4-methylmorpholine
CID 142096789
ethylcyclohexane;formonitrile
CID 174889190
(4-ethylpiperidin-1-yl)-(4-methylpiperazin-1-yl)methanone
CID 14084840
ethoxyethane;(3R)-3-ethyl-1-methylpyrrolidine
CID 177009372
1,3-diethylpyrrolidine;formonitrile
CID 175874911
ethane;1-methyl-4-(methylsulfonylmethyl)piperidine
CID 145006489

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-methylpiperidine;formonitrile?
The IUPAC name of 4-ethyl-1-methylpiperidine;formonitrile (CID 175849532) is 4-ethyl-1-methylpiperidine;formonitrile.
What is the SMILES notation for 4-ethyl-1-methylpiperidine;formonitrile?
The canonical SMILES for 4-ethyl-1-methylpiperidine;formonitrile is C#N.CCC1CCN(C)CC1.
What is the InChIKey of 4-ethyl-1-methylpiperidine;formonitrile?
The InChIKey is MOSJCMOBQICPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.CHN/c1-3-8-4-6-9(2)7-5-8;1-2/h8H,3-7H2,1-2H3;1H.
What are the key properties of 4-ethyl-1-methylpiperidine;formonitrile?
4-ethyl-1-methylpiperidine;formonitrile has a molecular weight of 154.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-methylpiperidine;formonitrile is sourced from PubChem (CID 175849532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).