1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine

C11H19N3 — CID 57000685

IUPAC1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine
SMILESC1=CCC(CCN2CCNCC2)N=C1
InChIInChI=1S/C11H19N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-2,5,11-12H,3-4,6-10H2
InChIKeyUXJYZEPCSWDBTH-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.68
Rot. Bonds3

About 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine

1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine (PubChem CID 57000685) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine
PubChem CID57000685
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine
SMILESC1=CCC(CCN2CCNCC2)N=C1
InChIInChI=1S/C11H19N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-2,5,11-12H,3-4,6-10H2
InChIKeyUXJYZEPCSWDBTH-UHFFFAOYSA-N
XLogP0.68
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Piperidin-1-yl-2,3-dihydropyridine
CID 23356626
2-Piperidin-2-yl-2,3-dihydropyridine
CID 91801827
2-(2,3-dihydropyridin-2-yl)-N-ethylethanamine
CID 123215911
N-(2,3-dihydropyridin-2-ylmethyl)-2-ethyliminopentan-1-amine
CID 123262214
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
1-[1-(2,3-Dihydropyridin-2-yl)-2-methylpropyl]piperazine
CID 123742591
3-[4-(2,3-Dihydropyridin-2-yl)piperidin-1-yl]propan-1-amine
CID 141995495
N-(2,3-dihydropyridin-2-ylmethyl)propan-2-amine
CID 142173291
1-(2,3-dihydropyridin-2-yl)-N-ethylpropan-1-amine;N-methylethanamine
CID 144144913
4a,5,6,7,8,8a-Hexahydro-1,6-naphthyridine
CID 149571207
1-(3,4-Dihydropyridin-6-ylmethyl)piperidin-4-amine
CID 154687138
N-[2-(3,4-dihydropyridin-6-yl)ethyl]-1-piperidin-2-ylethenamine
CID 164044478

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine (CID 57000685) is 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine is C1=CCC(CCN2CCNCC2)N=C1.
What is the InChIKey of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
The InChIKey is UXJYZEPCSWDBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-2-5-13-11(3-1)4-8-14-9-6-12-7-10-14/h1-2,5,11-12H,3-4,6-10H2.
What are the key properties of 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine?
1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine has a molecular weight of 193.29 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydropyridin-2-yl)ethyl]piperazine is sourced from PubChem (CID 57000685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).