4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile

C12H21N3 — CID 62352679

IUPAC4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(CCC)CC1
InChIInChI=1S/C12H21N3/c1-3-7-14-12(11-13)5-9-15(8-4-2)10-6-12/h3,14H,1,4-10H2,2H3
InChIKeyHOJJLDITUICLSS-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.53
Rot. Bonds5

About 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile

4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile (PubChem CID 62352679) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile
PubChem CID62352679
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile
SMILESC=CCNC1(C#N)CCN(CCC)CC1
InChIInChI=1S/C12H21N3/c1-3-7-14-12(11-13)5-9-15(8-4-2)10-6-12/h3,14H,1,4-10H2,2H3
InChIKeyHOJJLDITUICLSS-UHFFFAOYSA-N
XLogP1.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile?
The IUPAC name of 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile (CID 62352679) is 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile.
What is the SMILES notation for 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile?
The canonical SMILES for 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile is C=CCNC1(C#N)CCN(CCC)CC1.
What is the InChIKey of 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile?
The InChIKey is HOJJLDITUICLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-7-14-12(11-13)5-9-15(8-4-2)10-6-12/h3,14H,1,4-10H2,2H3.
What are the key properties of 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile?
4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile has a molecular weight of 207.32 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(prop-2-enylamino)-1-propylpiperidine-4-carbonitrile is sourced from PubChem (CID 62352679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).