2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

C14H20Cl2N2 — CID 104726497

IUPAC2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCc1cc(Cl)c(NCC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-10-7-13(16)14(8-12(10)15)17-9-11-3-5-18(2)6-4-11/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyLTYUGKORTMWNSH-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.06
Rot. Bonds3

About 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline

2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (PubChem CID 104726497) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
PubChem CID104726497
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
SMILESCc1cc(Cl)c(NCC2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-10-7-13(16)14(8-12(10)15)17-9-11-3-5-18(2)6-4-11/h7-8,11,17H,3-6,9H2,1-2H3
InChIKeyLTYUGKORTMWNSH-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62654344
6-chloro-N-[(1-methylpiperidin-4-yl)methyl]-2,3-dihydro-1,4-benzodioxin-7-amine
CID 62655263
N-(2,5-dichloro-4-methylphenyl)-1-methylpiperidin-4-amine
CID 104726369
6-chloro-5-[(1-methylpiperidin-4-yl)methylamino]-1,3-dihydroindol-2-one
CID 62655083
2-chloro-N-[(1-methylpiperidin-4-yl)methyl]-5-methylsulfonylaniline
CID 62655982
4-chloro-2-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 62658637
2,6-dichloro-4-fluoro-N-[(1-methylpiperidin-4-yl)methyl]aniline
CID 83076576
2-chloro-5-methyl-4-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,4-diamine
CID 114514975
2-iodo-1-N-[(1-methylpiperidin-4-yl)methyl]benzene-1,4-diamine
CID 66094994
5-methoxy-1-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrazol-3-amine
CID 114255682
3-chloro-4-[(1-methylpyrrolidin-3-yl)methylamino]benzenecarbothioamide
CID 63088945
4,5-dichloro-2-N-[2-(1-methylpiperidin-4-yl)ethyl]benzene-1,2-diamine
CID 114514955

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The IUPAC name of 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline (CID 104726497) is 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline.
What is the SMILES notation for 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The canonical SMILES for 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is Cc1cc(Cl)c(NCC2CCN(C)CC2)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
The InChIKey is LTYUGKORTMWNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10-7-13(16)14(8-12(10)15)17-9-11-3-5-18(2)6-4-11/h7-8,11,17H,3-6,9H2,1-2H3.
What are the key properties of 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline?
2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline has a molecular weight of 287.23 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-N-[(1-methylpiperidin-4-yl)methyl]aniline is sourced from PubChem (CID 104726497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).