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

C14H20Cl2N2 — CID 54806883

IUPAC2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCNc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-11-4-7-18(8-5-11)9-6-17-14-10-12(15)2-3-13(14)16/h2-3,10-11,17H,4-9H2,1H3
InChIKeyZVSAFWKZCQZKFA-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.14
Rot. Bonds4

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

2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline (PubChem CID 54806883) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
PubChem CID54806883
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline
SMILESCC1CCN(CCNc2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C14H20Cl2N2/c1-11-4-7-18(8-5-11)9-6-17-14-10-12(15)2-3-13(14)16/h2-3,10-11,17H,4-9H2,1H3
InChIKeyZVSAFWKZCQZKFA-UHFFFAOYSA-N
XLogP4.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The IUPAC name of 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline (CID 54806883) is 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline is CC1CCN(CCNc2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
The InChIKey is ZVSAFWKZCQZKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-11-4-7-18(8-5-11)9-6-17-14-10-12(15)2-3-13(14)16/h2-3,10-11,17H,4-9H2,1H3.
What are the key properties of 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline?
2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline has a molecular weight of 287.23 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-(4-methylpiperidin-1-yl)ethyl]aniline is sourced from PubChem (CID 54806883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).