(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine

C13H23N3O — CID 70278144

IUPAC(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine
SMILESCC(C)OC1C=C(N2CCN[C@H](C)C2)C=CN1
InChIInChI=1S/C13H23N3O/c1-10(2)17-13-8-12(4-5-15-13)16-7-6-14-11(3)9-16/h4-5,8,10-11,13-15H,6-7,9H2,1-3H3/t11-,13?/m1/s1
InChIKeyUNJDOLYPAANPCY-JTDNENJMSA-N
MW237.35 g/mol
LogP1.03
Rot. Bonds3

About (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine

(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine (PubChem CID 70278144) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine.

Molecular Properties

Compound Name(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine
PubChem CID70278144
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine
SMILESCC(C)OC1C=C(N2CCN[C@H](C)C2)C=CN1
InChIInChI=1S/C13H23N3O/c1-10(2)17-13-8-12(4-5-15-13)16-7-6-14-11(3)9-16/h4-5,8,10-11,13-15H,6-7,9H2,1-3H3/t11-,13?/m1/s1
InChIKeyUNJDOLYPAANPCY-JTDNENJMSA-N
XLogP1.03
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine?
The IUPAC name of (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine (CID 70278144) is (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine.
What is the SMILES notation for (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine?
The canonical SMILES for (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine is CC(C)OC1C=C(N2CCN[C@H](C)C2)C=CN1.
What is the InChIKey of (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine?
The InChIKey is UNJDOLYPAANPCY-JTDNENJMSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(2)17-13-8-12(4-5-15-13)16-7-6-14-11(3)9-16/h4-5,8,10-11,13-15H,6-7,9H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine?
(3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine has a molecular weight of 237.35 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-(2-propan-2-yloxy-1,2-dihydropyridin-4-yl)piperazine is sourced from PubChem (CID 70278144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).