(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine

C12H22N4 — CID 142400462

IUPAC(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
SMILESCC(C)N1CCN(C2=CC[C@H](N)N=C2)CC1
InChIInChI=1S/C12H22N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3,9-10,12H,4-8,13H2,1-2H3/t12-/m1/s1
InChIKeyLEBVLWWAYVHIIO-GFCCVEGCSA-N
MW222.34 g/mol
LogP0.66
Rot. Bonds2

About (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine

(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine (PubChem CID 142400462) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine.

Molecular Properties

Compound Name(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
PubChem CID142400462
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
SMILESCC(C)N1CCN(C2=CC[C@H](N)N=C2)CC1
InChIInChI=1S/C12H22N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3,9-10,12H,4-8,13H2,1-2H3/t12-/m1/s1
InChIKeyLEBVLWWAYVHIIO-GFCCVEGCSA-N
XLogP0.66
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-Ethylpiperazin-1-yl)-2,3-dihydropyridin-2-amine
CID 70889952
1-(2,3-Dihydropyridin-5-yl)piperazine
CID 123318948
(Z)-N-[(E)-1-(2-methylpiperazin-1-yl)prop-1-en-2-yl]pent-2-en-1-imine
CID 123800549
6-(4-ethylpiperazin-1-yl)-4H-azepin-2-amine
CID 134355345
2-methyl-6-piperazin-1-yl-4H-azepine
CID 134406048
2-methyl-6-piperazin-1-yl-2H-azepine
CID 134406061
(2E,5E)-N-methyl-2-piperazin-1-ylhepta-2,5-dien-1-imine
CID 134406064
1-(3,4-Dihydropyridin-6-ylmethyl)piperazine;methanamine
CID 142252974
ethane;2-methyl-6-piperazin-1-yl-4H-azepine
CID 145197641
(E)-2-piperazin-1-yl-N-prop-1-en-2-ylpent-2-en-1-imine
CID 145197749
(Z)-2-(1-piperazin-1-ylethyl)-N-prop-1-en-2-ylbut-2-en-1-imine
CID 145198211
6-piperazin-1-yl-4H-azepin-2-amine
CID 153630653

Frequently Asked Questions

What is the IUPAC name of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?
The IUPAC name of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine (CID 142400462) is (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine.
What is the SMILES notation for (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?
The canonical SMILES for (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine is CC(C)N1CCN(C2=CC[C@H](N)N=C2)CC1.
What is the InChIKey of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?
The InChIKey is LEBVLWWAYVHIIO-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H22N4/c1-10(2)15-5-7-16(8-6-15)11-3-4-12(13)14-9-11/h3,9-10,12H,4-8,13H2,1-2H3/t12-/m1/s1.
What are the key properties of (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine?
(2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine has a molecular weight of 222.34 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(4-propan-2-ylpiperazin-1-yl)-2,3-dihydropyridin-2-amine is sourced from PubChem (CID 142400462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).