2-methyl-5-piperidin-4-ylaniline

C12H18N2 — CID 105444511

IUPAC2-methyl-5-piperidin-4-ylaniline
SMILESCc1ccc(C2CCNCC2)cc1N
InChIInChI=1S/C12H18N2/c1-9-2-3-11(8-12(9)13)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3
InChIKeyWQOSLGPUUXTIHU-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.04
Rot. Bonds1

About 2-methyl-5-piperidin-4-ylaniline

2-methyl-5-piperidin-4-ylaniline (PubChem CID 105444511) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 2-methyl-5-piperidin-4-ylaniline.

Molecular Properties

Compound Name2-methyl-5-piperidin-4-ylaniline
PubChem CID105444511
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name2-methyl-5-piperidin-4-ylaniline
SMILESCc1ccc(C2CCNCC2)cc1N
InChIInChI=1S/C12H18N2/c1-9-2-3-11(8-12(9)13)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3
InChIKeyWQOSLGPUUXTIHU-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
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-(4-methylcyclohexyl)aniline
CID 22895075
2-fluoro-5-piperidin-4-ylaniline
CID 24904346
2-methyl-5-piperidin-4-ylbenzamide
CID 175991950
2-methyl-4-piperidin-4-ylbenzonitrile
CID 68519777
4-(3-piperidin-4-ylphenyl)piperidine
CID 91123464
2-methyl-5-piperidin-2-ylaniline
CID 55272863
2-methyl-5-[(1R,3S)-3-methylcyclohexyl]aniline
CID 125449693
ethane;4-(4-methylphenyl)piperidine
CID 145467036
N,2-dimethyl-5-piperidin-4-ylbenzamide
CID 171361874
4-methyl-7-piperidin-4-ylisoquinoline
CID 117325821
4-(4-piperidin-4-ylphenyl)aniline
CID 116988069
3-amino-4-methylbenzoic acid;4-[1-(3-amino-4-methylbenzoyl)piperidin-4-yl]benzonitrile;4-piperidin-4-ylbenzonitrile;hydrochloride
CID 162219922

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-piperidin-4-ylaniline?
The IUPAC name of 2-methyl-5-piperidin-4-ylaniline (CID 105444511) is 2-methyl-5-piperidin-4-ylaniline.
What is the SMILES notation for 2-methyl-5-piperidin-4-ylaniline?
The canonical SMILES for 2-methyl-5-piperidin-4-ylaniline is Cc1ccc(C2CCNCC2)cc1N.
What is the InChIKey of 2-methyl-5-piperidin-4-ylaniline?
The InChIKey is WQOSLGPUUXTIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-9-2-3-11(8-12(9)13)10-4-6-14-7-5-10/h2-3,8,10,14H,4-7,13H2,1H3.
What are the key properties of 2-methyl-5-piperidin-4-ylaniline?
2-methyl-5-piperidin-4-ylaniline has a molecular weight of 190.29 g/mol, XLogP of 2.04, 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-4-ylaniline is sourced from PubChem (CID 105444511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).