1-ethyl-4-methoxypiperidine-4-carbonitrile

C9H16N2O — CID 130519331

IUPAC1-ethyl-4-methoxypiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(OC)CC1
InChIInChI=1S/C9H16N2O/c1-3-11-6-4-9(8-10,12-2)5-7-11/h3-7H2,1-2H3
InChIKeyXWZDKOCJSYPZGP-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.01
Rot. Bonds2

About 1-ethyl-4-methoxypiperidine-4-carbonitrile

1-ethyl-4-methoxypiperidine-4-carbonitrile (PubChem CID 130519331) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 1-ethyl-4-methoxypiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-methoxypiperidine-4-carbonitrile
PubChem CID130519331
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name1-ethyl-4-methoxypiperidine-4-carbonitrile
SMILESCCN1CCC(C#N)(OC)CC1
InChIInChI=1S/C9H16N2O/c1-3-11-6-4-9(8-10,12-2)5-7-11/h3-7H2,1-2H3
InChIKeyXWZDKOCJSYPZGP-UHFFFAOYSA-N
XLogP1.01
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-4-hydroxypiperidine-4-carbonitrile
CID 43436600
1-methoxycycloheptane-1-carbonitrile
CID 15495961
1-benzyl-3-methoxypyrrolidine-3-carbonitrile
CID 19382157
1-ethyl-4,4-dimethylpiperidine;hydrate
CID 178113144
4-(tert-butylamino)-1-ethylpiperidine-4-carbonitrile
CID 22972970
3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
3-amino-1-ethylpyrrolidine-3-carbonitrile
CID 117012936
4-cyano-4-methoxy-N-methyl-N-propan-2-ylpiperidine-1-sulfonamide
CID 114284200
4-(diethylamino)-1-ethylazepane-4-carbonitrile
CID 65077429
(4-cyano-1-ethylpiperidin-4-yl)carbamic acid
CID 90106138
4-ethoxy-1-(2-methylsulfonylethyl)piperidine-4-carbonitrile
CID 114284237
1-(4,4-dimethylpentyl)-4-ethoxypiperidine-4-carbonitrile
CID 114284241

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-methoxypiperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-methoxypiperidine-4-carbonitrile (CID 130519331) is 1-ethyl-4-methoxypiperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-methoxypiperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-methoxypiperidine-4-carbonitrile is CCN1CCC(C#N)(OC)CC1.
What is the InChIKey of 1-ethyl-4-methoxypiperidine-4-carbonitrile?
The InChIKey is XWZDKOCJSYPZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-11-6-4-9(8-10,12-2)5-7-11/h3-7H2,1-2H3.
What are the key properties of 1-ethyl-4-methoxypiperidine-4-carbonitrile?
1-ethyl-4-methoxypiperidine-4-carbonitrile has a molecular weight of 168.24 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-methoxypiperidine-4-carbonitrile is sourced from PubChem (CID 130519331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).