[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine

C13H19ClN2 — CID 95241129

IUPAC[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCC[C@H](CN)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16-7-3-5-11(9-15)13(16)10-4-2-6-12(14)8-10/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3/t11-,13+/m1/s1
InChIKeyQEZHRHPXKIVCHH-YPMHNXCESA-N
MW238.76 g/mol
LogP2.68
Rot. Bonds2

About [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine

[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine (PubChem CID 95241129) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
PubChem CID95241129
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCC[C@H](CN)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C13H19ClN2/c1-16-7-3-5-11(9-15)13(16)10-4-2-6-12(14)8-10/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3/t11-,13+/m1/s1
InChIKeyQEZHRHPXKIVCHH-YPMHNXCESA-N
XLogP2.68
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[3-(difluoromethyl)phenyl]-1-methylpiperidin-3-yl]methanamine
CID 113329185
[2-(4-chloro-2-methylphenyl)-1-methylpiperidin-3-yl]methanamine
CID 114075917
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 111772053
N'-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 111818173
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-(cyclopropylmethyl)-3-ethylguanidine
CID 111637522
3-[[[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methylamino]-(ethylamino)methylidene]amino]-2,2-dimethylpropanamide
CID 111637740
[2-(3,4-dibromophenyl)-1-methylpiperidin-3-yl]methanamine
CID 114077559
[2-(2-bromo-5-chlorophenyl)-1-methylpiperidin-3-yl]methanamine
CID 66161524
1-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-2-methyl-3-prop-2-enylguanidine;hydroiodide
CID 111637663
2-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-1-phenylguanidine;hydroiodide
CID 111456572
[(2S,3R)-1-methyl-2-(4-methylphenyl)piperidin-3-yl]methanamine
CID 82393146
4-[[[N-[[2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111637502

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine (CID 95241129) is [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine is CN1CCC[C@H](CN)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is QEZHRHPXKIVCHH-YPMHNXCESA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16-7-3-5-11(9-15)13(16)10-4-2-6-12(14)8-10/h2,4,6,8,11,13H,3,5,7,9,15H2,1H3/t11-,13+/m1/s1.
What are the key properties of [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine?
[(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 238.76 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2-(3-chlorophenyl)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 95241129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).