N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline

C15H24N2 — CID 117336984

IUPACN,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
SMILESCc1ccc(N(C)C)c(CC2CCCNC2)c1
InChIInChI=1S/C15H24N2/c1-12-6-7-15(17(2)3)14(9-12)10-13-5-4-8-16-11-13/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3
InChIKeyDGUGPBZSPSDLOQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.60
Rot. Bonds3

About N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline

N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline (PubChem CID 117336984) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline.

Molecular Properties

Compound NameN,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
PubChem CID117336984
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline
SMILESCc1ccc(N(C)C)c(CC2CCCNC2)c1
InChIInChI=1S/C15H24N2/c1-12-6-7-15(17(2)3)14(9-12)10-13-5-4-8-16-11-13/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3
InChIKeyDGUGPBZSPSDLOQ-UHFFFAOYSA-N
XLogP2.60
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(piperidin-3-ylmethyl)aniline
CID 105456884
4-methyl-2-(piperidin-3-ylmethyl)benzaldehyde
CID 117309812
3-[[2-(difluoromethyl)-5-methylphenyl]methyl]piperidine
CID 84799772
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
1,5-dimethyl-3-(piperidin-3-ylmethyl)indole
CID 84630406
3-[(2-fluoro-3,5-dimethylphenyl)methyl]piperidine
CID 84788111
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
6-methyl-3-(piperidin-3-ylmethyl)-1H-quinolin-2-one
CID 84635995
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
3-[(6-methyl-1,3-benzodioxol-5-yl)methyl]piperidine
CID 84796209

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline?
The IUPAC name of N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline (CID 117336984) is N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline.
What is the SMILES notation for N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline?
The canonical SMILES for N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline is Cc1ccc(N(C)C)c(CC2CCCNC2)c1.
What is the InChIKey of N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline?
The InChIKey is DGUGPBZSPSDLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-7-15(17(2)3)14(9-12)10-13-5-4-8-16-11-13/h6-7,9,13,16H,4-5,8,10-11H2,1-3H3.
What are the key properties of N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline?
N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline has a molecular weight of 232.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-(piperidin-3-ylmethyl)aniline is sourced from PubChem (CID 117336984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).