2-(1-ethylpiperidin-3-yl)acetonitrile

C9H16N2 — CID 83914081

IUPAC2-(1-ethylpiperidin-3-yl)acetonitrile
SMILESCCN1CCCC(CC#N)C1
InChIInChI=1S/C9H16N2/c1-2-11-7-3-4-9(8-11)5-6-10/h9H,2-5,7-8H2,1H3
InChIKeyBYUJIBMLCBBPOG-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.63
Rot. Bonds2

About 2-(1-ethylpiperidin-3-yl)acetonitrile

2-(1-ethylpiperidin-3-yl)acetonitrile (PubChem CID 83914081) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)acetonitrile.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)acetonitrile
PubChem CID83914081
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-(1-ethylpiperidin-3-yl)acetonitrile
SMILESCCN1CCCC(CC#N)C1
InChIInChI=1S/C9H16N2/c1-2-11-7-3-4-9(8-11)5-6-10/h9H,2-5,7-8H2,1H3
InChIKeyBYUJIBMLCBBPOG-UHFFFAOYSA-N
XLogP1.63
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-ethylazepan-4-yl)acetonitrile
CID 83914417
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[(3R)-1-ethylpiperidin-3-yl]methanamine
CID 7200431
2-(1-propylpyrrolidin-3-yl)acetonitrile
CID 66545592
3-(ethoxymethyl)-1-ethylpiperidine
CID 91434061
2-[3-(methylaminomethyl)piperidin-1-yl]acetonitrile
CID 61206091
ethyl (3R)-3-(cyanomethyl)piperidine-1-carboxylate
CID 135397207
ethane;3-(ethoxymethyl)-1-ethylpiperidine
CID 144871592
(3R)-1-ethyl-3-[(2S)-2-methylbutyl]piperidine
CID 11789881
(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
(3S)-3-(2-ethoxyethyl)-1-ethylpiperidine
CID 173019176
N-[(1-ethylpiperidin-3-yl)methyl]-1,1,1-trifluoromethanamine
CID 71635317

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)acetonitrile?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)acetonitrile (CID 83914081) is 2-(1-ethylpiperidin-3-yl)acetonitrile.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)acetonitrile?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)acetonitrile is CCN1CCCC(CC#N)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)acetonitrile?
The InChIKey is BYUJIBMLCBBPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-11-7-3-4-9(8-11)5-6-10/h9H,2-5,7-8H2,1H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)acetonitrile?
2-(1-ethylpiperidin-3-yl)acetonitrile has a molecular weight of 152.24 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)acetonitrile is sourced from PubChem (CID 83914081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).