(3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine

C13H23ClN4 — CID 141335182

IUPAC(3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine
SMILESCCCN[C@@H]1CNCC[C@@H]1n1cnc(Cl)c1CC
InChIInChI=1S/C13H23ClN4/c1-3-6-16-10-8-15-7-5-12(10)18-9-17-13(14)11(18)4-2/h9-10,12,15-16H,3-8H2,1-2H3/t10-,12+/m1/s1
InChIKeyIRFQUABRALQEQJ-PWSUYJOCSA-N
MW270.81 g/mol
LogP2.00
Rot. Bonds5

About (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine

(3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine (PubChem CID 141335182) has the molecular formula C13H23ClN4 and a molecular weight of 270.81 g/mol. Its IUPAC name is (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine
PubChem CID141335182
Molecular FormulaC13H23ClN4
Molecular Weight270.81 g/mol
Exact Mass270.16
IUPAC Name(3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine
SMILESCCCN[C@@H]1CNCC[C@@H]1n1cnc(Cl)c1CC
InChIInChI=1S/C13H23ClN4/c1-3-6-16-10-8-15-7-5-12(10)18-9-17-13(14)11(18)4-2/h9-10,12,15-16H,3-8H2,1-2H3/t10-,12+/m1/s1
InChIKeyIRFQUABRALQEQJ-PWSUYJOCSA-N
XLogP2.00
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.81
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine?
The IUPAC name of (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine (CID 141335182) is (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine.
What is the SMILES notation for (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine?
The canonical SMILES for (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine is CCCN[C@@H]1CNCC[C@@H]1n1cnc(Cl)c1CC.
What is the InChIKey of (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine?
The InChIKey is IRFQUABRALQEQJ-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H23ClN4/c1-3-6-16-10-8-15-7-5-12(10)18-9-17-13(14)11(18)4-2/h9-10,12,15-16H,3-8H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine?
(3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine has a molecular weight of 270.81 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-chloro-5-ethylimidazol-1-yl)-N-propylpiperidin-3-amine is sourced from PubChem (CID 141335182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).