2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile

C10H18N2 — CID 62732365

IUPAC2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
SMILESCCC1(C)CCN(CC#N)CC1
InChIInChI=1S/C10H18N2/c1-3-10(2)4-7-12(8-5-10)9-6-11/h3-5,7-9H2,1-2H3
InChIKeyRXDPQRQADVYKOR-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds2

About 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile

2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile (PubChem CID 62732365) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
PubChem CID62732365
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile
SMILESCCC1(C)CCN(CC#N)CC1
InChIInChI=1S/C10H18N2/c1-3-10(2)4-7-12(8-5-10)9-6-11/h3-5,7-9H2,1-2H3
InChIKeyRXDPQRQADVYKOR-UHFFFAOYSA-N
XLogP2.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile?
The IUPAC name of 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile (CID 62732365) is 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile.
What is the SMILES notation for 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile?
The canonical SMILES for 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile is CCC1(C)CCN(CC#N)CC1.
What is the InChIKey of 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile?
The InChIKey is RXDPQRQADVYKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-10(2)4-7-12(8-5-10)9-6-11/h3-5,7-9H2,1-2H3.
What are the key properties of 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile?
2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile has a molecular weight of 166.27 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methylpiperidin-1-yl)acetonitrile is sourced from PubChem (CID 62732365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).