3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine

C14H17ClN4 — CID 97164042

IUPAC3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NC[C@H]1CCCCN1
InChIInChI=1S/C14H17ClN4/c15-13-14(17-9-10-5-3-4-8-16-10)19-12-7-2-1-6-11(12)18-13/h1-2,6-7,10,16H,3-5,8-9H2,(H,17,19)/t10-/m1/s1
InChIKeyFKNVMGVMPMPZBO-SNVBAGLBSA-N
MW276.77 g/mol
LogP2.84
Rot. Bonds3

About 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine

3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine (PubChem CID 97164042) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
PubChem CID97164042
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine
SMILESClc1nc2ccccc2nc1NC[C@H]1CCCCN1
InChIInChI=1S/C14H17ClN4/c15-13-14(17-9-10-5-3-4-8-16-10)19-12-7-2-1-6-11(12)18-13/h1-2,6-7,10,16H,3-5,8-9H2,(H,17,19)/t10-/m1/s1
InChIKeyFKNVMGVMPMPZBO-SNVBAGLBSA-N
XLogP2.84
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxalin-2-amine
CID 97164043
3-chloro-N-(pyrrolidin-2-ylmethyl)quinoxalin-2-amine
CID 71640743
3-N-[[(2S)-piperidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165179
3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97165181
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
N-[[(2S)-piperidin-2-yl]methyl]quinoxalin-2-amine
CID 94416055
2-chloro-3-(piperidin-2-ylmethylsulfanyl)quinoxaline;hydrochloride
CID 71639820
2-chloro-3-(piperidin-2-ylmethylsulfonyl)quinoxaline
CID 71639761
N-(piperidin-2-ylmethyl)-1H-benzimidazol-2-amine;hydrochloride
CID 71636788
2,6-dichloro-N-(piperidin-2-ylmethyl)aniline
CID 106634051
6-ethoxy-N-(piperidin-2-ylmethyl)pyridin-2-amine
CID 63591675
2-chloro-4-methyl-N-(piperidin-2-ylmethyl)aniline
CID 106633070

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The IUPAC name of 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine (CID 97164042) is 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine.
What is the SMILES notation for 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The canonical SMILES for 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine is Clc1nc2ccccc2nc1NC[C@H]1CCCCN1.
What is the InChIKey of 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine?
The InChIKey is FKNVMGVMPMPZBO-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-13-14(17-9-10-5-3-4-8-16-10)19-12-7-2-1-6-11(12)18-13/h1-2,6-7,10,16H,3-5,8-9H2,(H,17,19)/t10-/m1/s1.
What are the key properties of 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine?
3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine has a molecular weight of 276.77 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[(2R)-piperidin-2-yl]methyl]quinoxalin-2-amine is sourced from PubChem (CID 97164042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).