2-methyl-5-piperidin-2-ylaniline

C12H18N2 — CID 55272863

IUPAC2-methyl-5-piperidin-2-ylaniline
SMILESCc1ccc(C2CCCCN2)cc1N
InChIInChI=1S/C12H18N2/c1-9-5-6-10(8-11(9)13)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7,13H2,1H3
InChIKeyMJZWHZFZLUUHGH-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.39
Rot. Bonds1

About 2-methyl-5-piperidin-2-ylaniline

2-methyl-5-piperidin-2-ylaniline (PubChem CID 55272863) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-5-piperidin-2-ylaniline.

Molecular Properties

Compound Name2-methyl-5-piperidin-2-ylaniline
PubChem CID55272863
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-5-piperidin-2-ylaniline
SMILESCc1ccc(C2CCCCN2)cc1N
InChIInChI=1S/C12H18N2/c1-9-5-6-10(8-11(9)13)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7,13H2,1H3
InChIKeyMJZWHZFZLUUHGH-UHFFFAOYSA-N
XLogP2.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.39
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-methoxy-5-piperidin-2-ylaniline
CID 117116326
2,5-dimethyl-4-piperidin-2-ylaniline
CID 58255114
2-chloro-4-[(2R)-piperidin-2-yl]aniline
CID 130690862
2-methyl-4-[(2R)-piperidin-2-yl]phenol
CID 131198389
2-amino-4-[(2R)-pyrrolidin-2-yl]phenol
CID 66518284
2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
N,N,2-trimethyl-5-pyrrolidin-2-ylaniline
CID 117116788
(2S)-2-[4-methyl-3-(trifluoromethyl)phenyl]pyrrolidine
CID 66519102
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
(2R)-2-(3-methylphenyl)azepane
CID 7048257
(2S)-2-(4-chloro-3-methylphenyl)pyrrolidine
CID 55253037
2-methyl-4-pyrrolidin-2-ylphenol
CID 55283669

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-2-ylaniline?
The IUPAC name of 2-methyl-5-piperidin-2-ylaniline (CID 55272863) is 2-methyl-5-piperidin-2-ylaniline.
What is the SMILES notation for 2-methyl-5-piperidin-2-ylaniline?
The canonical SMILES for 2-methyl-5-piperidin-2-ylaniline is Cc1ccc(C2CCCCN2)cc1N.
What is the InChIKey of 2-methyl-5-piperidin-2-ylaniline?
The InChIKey is MJZWHZFZLUUHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-5-6-10(8-11(9)13)12-4-2-3-7-14-12/h5-6,8,12,14H,2-4,7,13H2,1H3.
What are the key properties of 2-methyl-5-piperidin-2-ylaniline?
2-methyl-5-piperidin-2-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-piperidin-2-ylaniline is sourced from PubChem (CID 55272863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).