1-(2,2-diethoxyethyl)piperidine-4-carbonitrile

C12H22N2O2 — CID 75507355

IUPAC1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
SMILESCCOC(CN1CCC(C#N)CC1)OCC
InChIInChI=1S/C12H22N2O2/c1-3-15-12(16-4-2)10-14-7-5-11(9-13)6-8-14/h11-12H,3-8,10H2,1-2H3
InChIKeyVKLVLXPGZXEBJI-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.62
Rot. Bonds6

About 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile

1-(2,2-diethoxyethyl)piperidine-4-carbonitrile (PubChem CID 75507355) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
PubChem CID75507355
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-(2,2-diethoxyethyl)piperidine-4-carbonitrile
SMILESCCOC(CN1CCC(C#N)CC1)OCC
InChIInChI=1S/C12H22N2O2/c1-3-15-12(16-4-2)10-14-7-5-11(9-13)6-8-14/h11-12H,3-8,10H2,1-2H3
InChIKeyVKLVLXPGZXEBJI-UHFFFAOYSA-N
XLogP1.62
TPSA45.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylpropyl)piperidine-4-carbonitrile
CID 39236120
1-(2-hydroxybutyl)piperidine-4-carbonitrile
CID 63631900
1-(2,2-diethoxyethyl)-4-propylpiperidine
CID 63617165
1-cyclopropyl-4-(2,2-diethoxyethyl)piperazine
CID 63619023
ethane;1-ethylpiperidine-4-carbonitrile
CID 178029721
3-(2,2-diethoxyethyl)-9-methyl-3,9-diazabicyclo[4.2.1]nonane
CID 79175351
1-(2-hydroxy-3-methoxypropyl)piperidine-4-carbonitrile
CID 63979053
1-(2,2-diethoxyethyl)-4-(2-methylpropyl)piperazine
CID 55248399
2-[1-(2,2-diethoxyethyl)piperidin-4-yl]acetamide
CID 55249753
1-(2,2-diethoxyethyl)-3-ethylpiperidin-4-amine
CID 81460280
4-(2,2-diethoxyethyl)-1,4-thiazinane 1,1-dioxide
CID 63619012
1-(2,2-diethoxyethyl)-4-ethyl-4-methylpiperidine
CID 63619222

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile (CID 75507355) is 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile is CCOC(CN1CCC(C#N)CC1)OCC.
What is the InChIKey of 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile?
The InChIKey is VKLVLXPGZXEBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-15-12(16-4-2)10-14-7-5-11(9-13)6-8-14/h11-12H,3-8,10H2,1-2H3.
What are the key properties of 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile?
1-(2,2-diethoxyethyl)piperidine-4-carbonitrile has a molecular weight of 226.32 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethyl)piperidine-4-carbonitrile is sourced from PubChem (CID 75507355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).