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

C13H18Cl2N2 — CID 29080623

IUPAC[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2/c14-12-5-3-6-13(15)11(12)9-17-7-2-1-4-10(17)8-16/h3,5-6,10H,1-2,4,7-9,16H2/t10-/m0/s1
InChIKeyWSBCMOXOHCWALC-JTQLQIEISA-N
MW273.21 g/mol
LogP3.31
Rot. Bonds3

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

[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine (PubChem CID 29080623) has the molecular formula C13H18Cl2N2 and a molecular weight of 273.21 g/mol. Its IUPAC name is [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
PubChem CID29080623
Molecular FormulaC13H18Cl2N2
Molecular Weight273.21 g/mol
Exact Mass272.08
IUPAC Name[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine
SMILESNC[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl
InChIInChI=1S/C13H18Cl2N2/c14-12-5-3-6-13(15)11(12)9-17-7-2-1-4-10(17)8-16/h3,5-6,10H,1-2,4,7-9,16H2/t10-/m0/s1
InChIKeyWSBCMOXOHCWALC-JTQLQIEISA-N
XLogP3.31
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 43187060
1-[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 113321883
[1-[(4-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 23074040
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]propan-2-amine
CID 62581436
N-[[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methyl]-2-methylpropan-1-amine
CID 63528020
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
[(2S)-1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanamine
CID 86329767
N-[[1-[(2,6-dichlorophenyl)methyl]pyrrolidin-2-yl]methyl]ethanamine
CID 55092410
3-chloro-2-[[2-(hydroxymethyl)pyrrolidin-1-yl]methyl]phenol
CID 115882280
[1-[(4-bromo-3-chlorophenyl)methyl]piperidin-2-yl]methanamine
CID 114077036
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183
[1-[(4-fluorophenyl)methyl]piperidin-2-yl]methanamine;hydrochloride
CID 119916113

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
The IUPAC name of [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine (CID 29080623) is [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine.
What is the SMILES notation for [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
The canonical SMILES for [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine is NC[C@@H]1CCCCN1Cc1c(Cl)cccc1Cl.
What is the InChIKey of [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
The InChIKey is WSBCMOXOHCWALC-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18Cl2N2/c14-12-5-3-6-13(15)11(12)9-17-7-2-1-4-10(17)8-16/h3,5-6,10H,1-2,4,7-9,16H2/t10-/m0/s1.
What are the key properties of [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine?
[(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine has a molecular weight of 273.21 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]methanamine is sourced from PubChem (CID 29080623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).