2-(piperidin-2-ylmethyl)aniline

C12H18N2 — CID 84662844

IUPAC2-(piperidin-2-ylmethyl)aniline
SMILESNc1ccccc1CC1CCCCN1
InChIInChI=1S/C12H18N2/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-2,5,7,11,14H,3-4,6,8-9,13H2
InChIKeyWAIRRLSQSWBIGV-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.95
Rot. Bonds2

About 2-(piperidin-2-ylmethyl)aniline

2-(piperidin-2-ylmethyl)aniline (PubChem CID 84662844) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-(piperidin-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-(piperidin-2-ylmethyl)aniline
PubChem CID84662844
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-(piperidin-2-ylmethyl)aniline
SMILESNc1ccccc1CC1CCCCN1
InChIInChI=1S/C12H18N2/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-2,5,7,11,14H,3-4,6,8-9,13H2
InChIKeyWAIRRLSQSWBIGV-UHFFFAOYSA-N
XLogP1.95
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.95
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-[(2-cyclopropylphenyl)methyl]piperidine
CID 138039409
2-(cyclopentylmethyl)aniline
CID 15634615
N,N-dimethyl-1-[2-(piperidin-2-ylmethyl)phenyl]methanamine
CID 117336983
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
2-[(2-propoxyphenyl)methyl]piperidine
CID 104662380
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
2-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
CID 69169822
2-[(2-pentan-3-ylphenyl)methyl]piperidine
CID 117366332
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
[1-[2-(piperidin-2-ylmethyl)phenyl]cyclopropyl]methanol
CID 117118115
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 112654463

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-2-ylmethyl)aniline?
The IUPAC name of 2-(piperidin-2-ylmethyl)aniline (CID 84662844) is 2-(piperidin-2-ylmethyl)aniline.
What is the SMILES notation for 2-(piperidin-2-ylmethyl)aniline?
The canonical SMILES for 2-(piperidin-2-ylmethyl)aniline is Nc1ccccc1CC1CCCCN1.
What is the InChIKey of 2-(piperidin-2-ylmethyl)aniline?
The InChIKey is WAIRRLSQSWBIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c13-12-7-2-1-5-10(12)9-11-6-3-4-8-14-11/h1-2,5,7,11,14H,3-4,6,8-9,13H2.
What are the key properties of 2-(piperidin-2-ylmethyl)aniline?
2-(piperidin-2-ylmethyl)aniline has a molecular weight of 190.29 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-2-ylmethyl)aniline is sourced from PubChem (CID 84662844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).