4-methyl-2-(piperidin-3-ylmethyl)aniline

C13H20N2 — CID 105456884

IUPAC4-methyl-2-(piperidin-3-ylmethyl)aniline
SMILESCc1ccc(N)c(CC2CCCNC2)c1
InChIInChI=1S/C13H20N2/c1-10-4-5-13(14)12(7-10)8-11-3-2-6-15-9-11/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3
InChIKeyURSAJXKDYPBNEZ-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.12
Rot. Bonds2

About 4-methyl-2-(piperidin-3-ylmethyl)aniline

4-methyl-2-(piperidin-3-ylmethyl)aniline (PubChem CID 105456884) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-methyl-2-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound Name4-methyl-2-(piperidin-3-ylmethyl)aniline
PubChem CID105456884
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-methyl-2-(piperidin-3-ylmethyl)aniline
SMILESCc1ccc(N)c(CC2CCCNC2)c1
InChIInChI=1S/C13H20N2/c1-10-4-5-13(14)12(7-10)8-11-3-2-6-15-9-11/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3
InChIKeyURSAJXKDYPBNEZ-UHFFFAOYSA-N
XLogP2.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.12
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

N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
CID 117336984
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
(3S)-3-[(5-methylfuran-2-yl)methyl]piperidine
CID 130804196
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
5-methyl-2-(2-piperidin-3-ylethylsulfanyl)aniline
CID 62358057
3-[(3-fluoro-2-methoxy-5-methylphenyl)methyl]piperidine
CID 84798655
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(piperidin-3-ylmethyl)aniline?
The IUPAC name of 4-methyl-2-(piperidin-3-ylmethyl)aniline (CID 105456884) is 4-methyl-2-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for 4-methyl-2-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for 4-methyl-2-(piperidin-3-ylmethyl)aniline is Cc1ccc(N)c(CC2CCCNC2)c1.
What is the InChIKey of 4-methyl-2-(piperidin-3-ylmethyl)aniline?
The InChIKey is URSAJXKDYPBNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-5-13(14)12(7-10)8-11-3-2-6-15-9-11/h4-5,7,11,15H,2-3,6,8-9,14H2,1H3.
What are the key properties of 4-methyl-2-(piperidin-3-ylmethyl)aniline?
4-methyl-2-(piperidin-3-ylmethyl)aniline has a molecular weight of 204.32 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 105456884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).