1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine

C14H20Cl2N2 — CID 54975601

IUPAC1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2cccc(Cl)c2Cl)CC1C
InChIInChI=1S/C14H20Cl2N2/c1-3-17-12-7-8-18(9-10(12)2)13-6-4-5-11(15)14(13)16/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyDAWHUZXGRILZJS-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.82
Rot. Bonds3

About 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine

1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine (PubChem CID 54975601) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
PubChem CID54975601
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine
SMILESCCNC1CCN(c2cccc(Cl)c2Cl)CC1C
InChIInChI=1S/C14H20Cl2N2/c1-3-17-12-7-8-18(9-10(12)2)13-6-4-5-11(15)14(13)16/h4-6,10,12,17H,3,7-9H2,1-2H3
InChIKeyDAWHUZXGRILZJS-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 851833
CID 851833
CID 93601
CID 93601
CID 937604
CID 937604
CID 44621617
CID 44621617
CID 70683582
CID 70683582
CID 868366
CID 868366
CID 15356306
CID 15356306
CID 867305
CID 867305
CID 3017015
CID 3017015
CID 11630372
CID 11630372
CID 2846380
CID 2846380
CID 44203057
CID 44203057

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine (CID 54975601) is 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine is CCNC1CCN(c2cccc(Cl)c2Cl)CC1C.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
The InChIKey is DAWHUZXGRILZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-3-17-12-7-8-18(9-10(12)2)13-6-4-5-11(15)14(13)16/h4-6,10,12,17H,3,7-9H2,1-2H3.
What are the key properties of 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine?
1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine has a molecular weight of 287.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-ethyl-3-methylpiperidin-4-amine is sourced from PubChem (CID 54975601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).