(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine

C14H17ClN4 — CID 97164747

IUPAC(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C14H17ClN4/c1-16-10-5-4-8-19(9-10)14-13(15)17-11-6-2-3-7-12(11)18-14/h2-3,6-7,10,16H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyWKTMQIIAAKOFBN-SNVBAGLBSA-N
MW276.77 g/mol
LogP2.47
Rot. Bonds2

About (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine

(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine (PubChem CID 97164747) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
PubChem CID97164747
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine
SMILESCN[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1
InChIInChI=1S/C14H17ClN4/c1-16-10-5-4-8-19(9-10)14-13(15)17-11-6-2-3-7-12(11)18-14/h2-3,6-7,10,16H,4-5,8-9H2,1H3/t10-/m1/s1
InChIKeyWKTMQIIAAKOFBN-SNVBAGLBSA-N
XLogP2.47
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-amine
CID 86318100
[(3R)-1-(3-chloroquinoxalin-2-yl)piperidin-3-yl]methanamine
CID 97165469
(3S)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-amine
CID 71643980
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
[1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-yl]methanol
CID 71650041
(3S)-1-[3-(methylamino)quinoxalin-2-yl]piperidin-3-ol
CID 71648045
1-[4-(4-chlorophenyl)phthalazin-1-yl]-N-methylpiperidin-3-amine;ethane
CID 142337470
2-[3-(chloromethyl)piperidin-1-yl]-3-methylquinoxaline
CID 63392549
N-methyl-3-[4-(methylamino)piperidin-1-yl]quinoxalin-2-amine
CID 71642821
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538
(3S)-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxylic acid
CID 97177724
N-cyclohexyl-1-(3-ethoxyquinoxalin-2-yl)piperidine-3-carboxamide
CID 50752811

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine?
The IUPAC name of (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine (CID 97164747) is (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine.
What is the SMILES notation for (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine?
The canonical SMILES for (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine is CN[C@@H]1CCCN(c2nc3ccccc3nc2Cl)C1.
What is the InChIKey of (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine?
The InChIKey is WKTMQIIAAKOFBN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4/c1-16-10-5-4-8-19(9-10)14-13(15)17-11-6-2-3-7-12(11)18-14/h2-3,6-7,10,16H,4-5,8-9H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine?
(3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine has a molecular weight of 276.77 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3-chloroquinoxalin-2-yl)-N-methylpiperidin-3-amine is sourced from PubChem (CID 97164747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).