4-ethylpiperidine-2-carbonitrile

C8H14N2 — CID 56972748

IUPAC4-ethylpiperidine-2-carbonitrile
SMILESCCC1CCNC(C#N)C1
InChIInChI=1S/C8H14N2/c1-2-7-3-4-10-8(5-7)6-9/h7-8,10H,2-5H2,1H3
InChIKeyNDNPOHAISFCQPO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.29
Rot. Bonds1

About 4-ethylpiperidine-2-carbonitrile

4-ethylpiperidine-2-carbonitrile (PubChem CID 56972748) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 4-ethylpiperidine-2-carbonitrile.

Molecular Properties

Compound Name4-ethylpiperidine-2-carbonitrile
PubChem CID56972748
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name4-ethylpiperidine-2-carbonitrile
SMILESCCC1CCNC(C#N)C1
InChIInChI=1S/C8H14N2/c1-2-7-3-4-10-8(5-7)6-9/h7-8,10H,2-5H2,1H3
InChIKeyNDNPOHAISFCQPO-UHFFFAOYSA-N
XLogP1.29
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylpiperidine-2-carbonitrile?
The IUPAC name of 4-ethylpiperidine-2-carbonitrile (CID 56972748) is 4-ethylpiperidine-2-carbonitrile.
What is the SMILES notation for 4-ethylpiperidine-2-carbonitrile?
The canonical SMILES for 4-ethylpiperidine-2-carbonitrile is CCC1CCNC(C#N)C1.
What is the InChIKey of 4-ethylpiperidine-2-carbonitrile?
The InChIKey is NDNPOHAISFCQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-2-7-3-4-10-8(5-7)6-9/h7-8,10H,2-5H2,1H3.
What are the key properties of 4-ethylpiperidine-2-carbonitrile?
4-ethylpiperidine-2-carbonitrile has a molecular weight of 138.21 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylpiperidine-2-carbonitrile is sourced from PubChem (CID 56972748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).