1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine

C14H20Cl2N2 — CID 55168005

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-10(17)14-7-2-3-8-18(14)9-11-12(15)5-4-6-13(11)16/h4-6,10,14H,2-3,7-9,17H2,1H3
InChIKeyMVKNLWUCDVQTNY-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.70
Rot. Bonds3

About 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine

1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine (PubChem CID 55168005) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
PubChem CID55168005
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C14H20Cl2N2/c1-10(17)14-7-2-3-8-18(14)9-11-12(15)5-4-6-13(11)16/h4-6,10,14H,2-3,7-9,17H2,1H3
InChIKeyMVKNLWUCDVQTNY-UHFFFAOYSA-N
XLogP3.70
TPSA29.26 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 ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(2-chlorothiophen-3-yl)methyl]piperidin-2-yl]ethanamine
CID 120897041
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 29080623
1-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-2-yl]ethanamine
CID 106865562
4-[[2-(1-aminoethyl)piperidin-1-yl]methyl]phenol
CID 63254190
1-[1-[(3-fluorophenyl)methyl]piperidin-2-yl]ethanamine
CID 63254271
1-[1-[(6-chloro-3-pyridinyl)methyl]piperidin-2-yl]ethanamine
CID 55167435
1-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-2-yl]ethanamine
CID 65027028
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
3-[[2-(1-aminoethyl)piperidin-1-yl]methyl]benzonitrile
CID 63254536
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
1-[1-[(5-methylthiophen-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63254745

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine (CID 55168005) is 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine?
The InChIKey is MVKNLWUCDVQTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c1-10(17)14-7-2-3-8-18(14)9-11-12(15)5-4-6-13(11)16/h4-6,10,14H,2-3,7-9,17H2,1H3.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine?
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine has a molecular weight of 287.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 55168005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).