2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine

C16H24Cl2N2 — CID 129365039

IUPAC2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine
SMILESCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCCN1C
InChIInChI=1S/C16H24Cl2N2/c1-19(12-14-5-3-4-9-20(14)2)10-8-13-6-7-15(17)16(18)11-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m0/s1
InChIKeyBBURUCNUCKNLNA-AWEZNQCLSA-N
MW315.29 g/mol
LogP3.95
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine

2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine (PubChem CID 129365039) has the molecular formula C16H24Cl2N2 and a molecular weight of 315.29 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine
PubChem CID129365039
Molecular FormulaC16H24Cl2N2
Molecular Weight315.29 g/mol
Exact Mass314.13
IUPAC Name2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine
SMILESCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCCN1C
InChIInChI=1S/C16H24Cl2N2/c1-19(12-14-5-3-4-9-20(14)2)10-8-13-6-7-15(17)16(18)11-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m0/s1
InChIKeyBBURUCNUCKNLNA-AWEZNQCLSA-N
XLogP3.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine (CID 129365039) is 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine is CN(CCc1ccc(Cl)c(Cl)c1)C[C@@H]1CCCCN1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine?
The InChIKey is BBURUCNUCKNLNA-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H24Cl2N2/c1-19(12-14-5-3-4-9-20(14)2)10-8-13-6-7-15(17)16(18)11-13/h6-7,11,14H,3-5,8-10,12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine?
2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine has a molecular weight of 315.29 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-methyl-N-[[(2S)-1-methylpiperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 129365039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).