2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine

C15H21N5 — CID 97164708

IUPAC2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1NC[C@@H]1CCCNC1
InChIInChI=1S/C15H21N5/c1-16-14-15(18-10-11-5-4-8-17-9-11)20-13-7-3-2-6-12(13)19-14/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,19)(H,18,20)/t11-/m1/s1
InChIKeyOCJHYZHBRJXXOQ-LLVKDONJSA-N
MW271.37 g/mol
LogP2.08
Rot. Bonds4

About 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine

2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine (PubChem CID 97164708) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine.

Molecular Properties

Compound Name2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
PubChem CID97164708
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
SMILESCNc1nc2ccccc2nc1NC[C@@H]1CCCNC1
InChIInChI=1S/C15H21N5/c1-16-14-15(18-10-11-5-4-8-17-9-11)20-13-7-3-2-6-12(13)19-14/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,19)(H,18,20)/t11-/m1/s1
InChIKeyOCJHYZHBRJXXOQ-LLVKDONJSA-N
XLogP2.08
TPSA61.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-methyl-3-N-[[(3S)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine
CID 97164709
2-N-methyl-3-N-[[(2S)-pyrrolidin-2-yl]methyl]quinoxaline-2,3-diamine
CID 97164706
2-N-methyl-3-N-[(3R)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642523
2-N,3-N-dimethyl-3-N-[(3S)-piperidin-3-yl]quinoxaline-2,3-diamine
CID 71642503
N-[[(3R)-piperidin-3-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178374
N-(piperidin-3-ylmethyl)-1,2-benzothiazol-3-amine
CID 71636815
2-methylsulfanyl-N-(piperidin-3-ylmethyl)aniline
CID 80553558
2-tert-butyl-N-(piperidin-3-ylmethyl)aniline
CID 79018960
4-N-(cyclopentylmethyl)-2-N-methylquinazoline-2,4-diamine
CID 80783719
4-methoxy-N-(piperidin-3-ylmethyl)aniline
CID 79018605
N-(piperidin-3-ylmethyl)quinolin-5-amine
CID 80552964
7-[6-(methylamino)-3-pyridinyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113685

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine?
The IUPAC name of 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine (CID 97164708) is 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine.
What is the SMILES notation for 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine?
The canonical SMILES for 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine is CNc1nc2ccccc2nc1NC[C@@H]1CCCNC1.
What is the InChIKey of 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine?
The InChIKey is OCJHYZHBRJXXOQ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21N5/c1-16-14-15(18-10-11-5-4-8-17-9-11)20-13-7-3-2-6-12(13)19-14/h2-3,6-7,11,17H,4-5,8-10H2,1H3,(H,16,19)(H,18,20)/t11-/m1/s1.
What are the key properties of 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine?
2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine has a molecular weight of 271.37 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-3-N-[[(3R)-piperidin-3-yl]methyl]quinoxaline-2,3-diamine is sourced from PubChem (CID 97164708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).