1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile

C12H21N3 — CID 62353257

IUPAC1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(C(C)C)CC1
InChIInChI=1S/C12H21N3/c1-4-7-14-12(10-13)5-8-15(9-6-12)11(2)3/h4,11,14H,1,5-9H2,2-3H3
InChIKeyWPWBNGFOYPBSJX-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.53
Rot. Bonds4

About 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile

1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile (PubChem CID 62353257) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile
PubChem CID62353257
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(C(C)C)CC1
InChIInChI=1S/C12H21N3/c1-4-7-14-12(10-13)5-8-15(9-6-12)11(2)3/h4,11,14H,1,5-9H2,2-3H3
InChIKeyWPWBNGFOYPBSJX-UHFFFAOYSA-N
XLogP1.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile (CID 62353257) is 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile is C=CCNC1(C#N)CCN(C(C)C)CC1.
What is the InChIKey of 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
The InChIKey is WPWBNGFOYPBSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-4-7-14-12(10-13)5-8-15(9-6-12)11(2)3/h4,11,14H,1,5-9H2,2-3H3.
What are the key properties of 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile?
1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(prop-2-enylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 62353257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).