1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile

C11H19N3 — CID 28702963

IUPAC1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(CC)CC1
InChIInChI=1S/C11H19N3/c1-3-7-13-11(10-12)5-8-14(4-2)9-6-11/h3,13H,1,4-9H2,2H3
InChIKeyPNICMBUEJCMWEC-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.14
Rot. Bonds4

About 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile

1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile (PubChem CID 28702963) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
PubChem CID28702963
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(CC)CC1
InChIInChI=1S/C11H19N3/c1-3-7-13-11(10-12)5-8-14(4-2)9-6-11/h3,13H,1,4-9H2,2H3
InChIKeyPNICMBUEJCMWEC-UHFFFAOYSA-N
XLogP1.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile (CID 28702963) is 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile is C=CCNC1(C#N)CCN(CC)CC1.
What is the InChIKey of 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The InChIKey is PNICMBUEJCMWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-7-13-11(10-12)5-8-14(4-2)9-6-11/h3,13H,1,4-9H2,2H3.
What are the key properties of 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile has a molecular weight of 193.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(prop-2-enylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 28702963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).