3-[(2S)-piperidin-2-yl]benzene-1,2-diamine

C11H17N3 — CID 55296112

IUPAC3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
SMILESNc1cccc([C@@H]2CCCCN2)c1N
InChIInChI=1S/C11H17N3/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7,12-13H2/t10-/m0/s1
InChIKeyGDNSHGFQLJYFDU-JTQLQIEISA-N
MW191.28 g/mol
LogP1.67
Rot. Bonds1

About 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine

3-[(2S)-piperidin-2-yl]benzene-1,2-diamine (PubChem CID 55296112) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine.

Molecular Properties

Compound Name3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
PubChem CID55296112
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name3-[(2S)-piperidin-2-yl]benzene-1,2-diamine
SMILESNc1cccc([C@@H]2CCCCN2)c1N
InChIInChI=1S/C11H17N3/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7,12-13H2/t10-/m0/s1
InChIKeyGDNSHGFQLJYFDU-JTQLQIEISA-N
XLogP1.67
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[(2S)-azetidin-2-yl]benzene-1,2-diamine
CID 130891811
2-pyrrolidin-2-ylaniline;dihydrochloride
CID 66519278
2-amino-3-pyrrolidin-2-ylbenzamide
CID 18403954
2-[(2S)-pyrrolidin-2-yl]-6-(trifluoromethyl)aniline
CID 66519144
3-[(2R)-piperidin-2-yl]benzene-1,2-diol
CID 130665742
2-(2-cyclopentylphenyl)piperidine
CID 115005914
2-naphthalen-1-ylpiperidine
CID 4209523
2-chloro-3-piperidin-2-ylphenol
CID 130000735
2,3-dichloro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66519208
3-[(2S)-piperidin-2-yl]benzene-1,2-diol;hydrochloride
CID 171194852
2-(3-bromo-2-fluorophenyl)azepane
CID 106646528
(2R)-2-(3-bromo-2-fluorophenyl)piperidine;hydrochloride
CID 171195428

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine?
The IUPAC name of 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine (CID 55296112) is 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine.
What is the SMILES notation for 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine?
The canonical SMILES for 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine is Nc1cccc([C@@H]2CCCCN2)c1N.
What is the InChIKey of 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine?
The InChIKey is GDNSHGFQLJYFDU-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17N3/c12-9-5-3-4-8(11(9)13)10-6-1-2-7-14-10/h3-5,10,14H,1-2,6-7,12-13H2/t10-/m0/s1.
What are the key properties of 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine?
3-[(2S)-piperidin-2-yl]benzene-1,2-diamine has a molecular weight of 191.28 g/mol, XLogP of 1.67, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-piperidin-2-yl]benzene-1,2-diamine is sourced from PubChem (CID 55296112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).