N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine

C14H18N4 — CID 94416055

IUPACN-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
SMILESc1ccc2nc(NC[C@@H]3CCCCN3)cnc2c1
InChIInChI=1S/C14H18N4/c1-2-7-13-12(6-1)16-10-14(18-13)17-9-11-5-3-4-8-15-11/h1-2,6-7,10-11,15H,3-5,8-9H2,(H,17,18)/t11-/m0/s1
InChIKeyZCOUJAVILQPMDC-NSHDSACASA-N
MW242.33 g/mol
LogP2.18
Rot. Bonds3

About N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine

N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 94416055) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound NameN-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
PubChem CID94416055
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
SMILESc1ccc2nc(NC[C@@H]3CCCCN3)cnc2c1
InChIInChI=1S/C14H18N4/c1-2-7-13-12(6-1)16-10-14(18-13)17-9-11-5-3-4-8-15-11/h1-2,6-7,10-11,15H,3-5,8-9H2,(H,17,18)/t11-/m0/s1
InChIKeyZCOUJAVILQPMDC-NSHDSACASA-N
XLogP2.18
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-nitro-N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97177886
N-[(2-aminocyclohexyl)methyl]quinoxalin-2-amine
CID 64926894
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 97164042
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
6-nitro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71635780
2-(2-piperidin-2-ylethoxy)quinoxaline
CID 62359871
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
2-[(R)-[(2R)-piperidin-2-yl]methylsulfinyl]quinoxaline
CID 97166212
N-(oxan-4-ylmethyl)quinoxalin-2-amine
CID 62351550
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
N-cyclopropyl-N-(piperidin-2-ylmethyl)quinoxalin-2-amine
CID 106641225
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine (CID 94416055) is N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine is c1ccc2nc(NC[C@@H]3CCCCN3)cnc2c1.
What is the InChIKey of N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is ZCOUJAVILQPMDC-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N4/c1-2-7-13-12(6-1)16-10-14(18-13)17-9-11-5-3-4-8-15-11/h1-2,6-7,10-11,15H,3-5,8-9H2,(H,17,18)/t11-/m0/s1.
What are the key properties of N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine?
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 242.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 94416055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).