2-chloro-4-[(2R)-piperidin-2-yl]aniline

C11H15ClN2 — CID 130690862

IUPAC2-chloro-4-[(2R)-piperidin-2-yl]aniline
SMILESNc1ccc([C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C11H15ClN2/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6,13H2/t11-/m1/s1
InChIKeyXBDBJOUVHPOVMN-LLVKDONJSA-N
MW210.71 g/mol
LogP2.74
Rot. Bonds1

About 2-chloro-4-[(2R)-piperidin-2-yl]aniline

2-chloro-4-[(2R)-piperidin-2-yl]aniline (PubChem CID 130690862) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is 2-chloro-4-[(2R)-piperidin-2-yl]aniline.

Molecular Properties

Compound Name2-chloro-4-[(2R)-piperidin-2-yl]aniline
PubChem CID130690862
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC Name2-chloro-4-[(2R)-piperidin-2-yl]aniline
SMILESNc1ccc([C@H]2CCCCN2)cc1Cl
InChIInChI=1S/C11H15ClN2/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6,13H2/t11-/m1/s1
InChIKeyXBDBJOUVHPOVMN-LLVKDONJSA-N
XLogP2.74
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-(3-bromo-4-chlorophenyl)azepane
CID 107998182
2-(3-chloro-4-cyclohexylphenyl)pyrrolidine
CID 117414258
2-chloro-4-cyclohexylaniline
CID 18451501
(2R)-2-(4-chlorophenyl)piperidine;hydrochloride
CID 155903197
2-methoxy-5-piperidin-2-ylaniline
CID 117116326
(2R)-2-[4-chloro-3-(trifluoromethyl)phenyl]piperidine
CID 171195520
2-chloro-N,N-dimethyl-5-piperidin-2-ylaniline;dihydrochloride
CID 155976846
(2S)-2-[3-chloro-4-(trifluoromethoxy)phenyl]piperidine;hydrochloride
CID 171195028
1-[(2-chloro-4-piperidin-2-ylphenyl)methyl]piperidine
CID 117472785
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
2-(3-bromo-4-chlorophenyl)pyrrolidine
CID 53403563

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2R)-piperidin-2-yl]aniline?
The IUPAC name of 2-chloro-4-[(2R)-piperidin-2-yl]aniline (CID 130690862) is 2-chloro-4-[(2R)-piperidin-2-yl]aniline.
What is the SMILES notation for 2-chloro-4-[(2R)-piperidin-2-yl]aniline?
The canonical SMILES for 2-chloro-4-[(2R)-piperidin-2-yl]aniline is Nc1ccc([C@H]2CCCCN2)cc1Cl.
What is the InChIKey of 2-chloro-4-[(2R)-piperidin-2-yl]aniline?
The InChIKey is XBDBJOUVHPOVMN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-7-8(4-5-10(9)13)11-3-1-2-6-14-11/h4-5,7,11,14H,1-3,6,13H2/t11-/m1/s1.
What are the key properties of 2-chloro-4-[(2R)-piperidin-2-yl]aniline?
2-chloro-4-[(2R)-piperidin-2-yl]aniline has a molecular weight of 210.71 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2R)-piperidin-2-yl]aniline is sourced from PubChem (CID 130690862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).