(E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile

C10H17N3 — CID 134988491

IUPAC(E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile
SMILESCN(C)/C(=C\C#N)N1CCCCC1
InChIInChI=1S/C10H17N3/c1-12(2)10(6-7-11)13-8-4-3-5-9-13/h6H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyJCKVJBVPWWKFEC-UXBLZVDNSA-N
MW179.27 g/mol
LogP1.40
Rot. Bonds2

About (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile

(E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile (PubChem CID 134988491) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile
PubChem CID134988491
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile
SMILESCN(C)/C(=C\C#N)N1CCCCC1
InChIInChI=1S/C10H17N3/c1-12(2)10(6-7-11)13-8-4-3-5-9-13/h6H,3-5,8-9H2,1-2H3/b10-6+
InChIKeyJCKVJBVPWWKFEC-UXBLZVDNSA-N
XLogP1.40
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708340
(Z)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708342
(E)-3-(diethylamino)-3-piperidin-1-ylprop-2-enenitrile
CID 134923685
1-(1-Piperidin-1-ylprop-1-enyl)piperidine
CID 13561374
1-Piperidin-1-ylprop-1-en-1-amine
CID 66782408
3-Amino-3-(piperidin-1-yl)prop-2-enenitrile
CID 71343804

Frequently Asked Questions

What is the IUPAC name of (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile?
The IUPAC name of (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile (CID 134988491) is (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile is CN(C)/C(=C\C#N)N1CCCCC1.
What is the InChIKey of (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile?
The InChIKey is JCKVJBVPWWKFEC-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H17N3/c1-12(2)10(6-7-11)13-8-4-3-5-9-13/h6H,3-5,8-9H2,1-2H3/b10-6+.
What are the key properties of (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile?
(E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile has a molecular weight of 179.27 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-3-piperidin-1-ylprop-2-enenitrile is sourced from PubChem (CID 134988491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).