2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile

C9H17N3 — CID 81459551

IUPAC2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile
SMILESCCC1CN(CC#N)CCC1N
InChIInChI=1S/C9H17N3/c1-2-8-7-12(6-4-10)5-3-9(8)11/h8-9H,2-3,5-7,11H2,1H3
InChIKeyBGIVHOHVMJTABS-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.57
Rot. Bonds2

About 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile

2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile (PubChem CID 81459551) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile
PubChem CID81459551
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile
SMILESCCC1CN(CC#N)CCC1N
InChIInChI=1S/C9H17N3/c1-2-8-7-12(6-4-10)5-3-9(8)11/h8-9H,2-3,5-7,11H2,1H3
InChIKeyBGIVHOHVMJTABS-UHFFFAOYSA-N
XLogP0.57
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(4-ethyl-3-hydroxypiperidin-1-yl)acetonitrile
CID 145337892
2-(4-amino-3-ethylpiperidin-1-yl)ethanol
CID 81459105
3-ethyl-1-(3-methylbutyl)piperidin-4-amine
CID 81457708
3-ethyl-1-(2-piperidin-1-ylethyl)piperidin-4-amine
CID 81459970
3-ethyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 81460442
3-(4-amino-3-ethylpiperidin-1-yl)pentanenitrile
CID 81459571
1-[2-(diethylamino)ethyl]-3-ethylpiperidin-4-amine
CID 81458962
1-(4-amino-3-ethylpiperidin-1-yl)butan-2-ol
CID 81458861
2-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]acetonitrile
CID 94342020
1-(2,2-diethoxyethyl)-3-ethylpiperidin-4-amine
CID 81460280
3-ethyl-1-(3-methylbut-3-enyl)piperidin-4-amine
CID 114473405
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile (CID 81459551) is 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile is CCC1CN(CC#N)CCC1N.
What is the InChIKey of 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile?
The InChIKey is BGIVHOHVMJTABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-8-7-12(6-4-10)5-3-9(8)11/h8-9H,2-3,5-7,11H2,1H3.
What are the key properties of 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile?
2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile has a molecular weight of 167.26 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-ethylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 81459551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).