1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine

C15H23ClN2 — CID 112736627

IUPAC1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
SMILESCC(c1ccccc1Cl)N(C)C[C@@H]1CCCNC1
InChIInChI=1S/C15H23ClN2/c1-12(14-7-3-4-8-15(14)16)18(2)11-13-6-5-9-17-10-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyXATLOKMZYIHJEY-ZGTCLIOFSA-N
MW266.82 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine

1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine (PubChem CID 112736627) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
PubChem CID112736627
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
SMILESCC(c1ccccc1Cl)N(C)C[C@@H]1CCCNC1
InChIInChI=1S/C15H23ClN2/c1-12(14-7-3-4-8-15(14)16)18(2)11-13-6-5-9-17-10-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3/t12?,13-/m1/s1
InChIKeyXATLOKMZYIHJEY-ZGTCLIOFSA-N
XLogP3.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 104870411
1-(3,4-dichlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 120847721
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
1-(3-chlorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119930141
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
4-methyl-2-[1-[methyl(piperidin-3-ylmethyl)amino]ethyl]phenol
CID 106623736
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
N-methyl-1-phenyl-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106623701
N-methyl-1-phenyl-N-(pyrrolidin-3-ylmethyl)ethanamine
CID 23292007
1-(2-fluorophenyl)-N-methyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106623894
N-[(2,6-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 113267788
N-[1-(2-methylphenyl)ethyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624032

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine (CID 112736627) is 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine is CC(c1ccccc1Cl)N(C)C[C@@H]1CCCNC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine?
The InChIKey is XATLOKMZYIHJEY-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-12(14-7-3-4-8-15(14)16)18(2)11-13-6-5-9-17-10-13/h3-4,7-8,12-13,17H,5-6,9-11H2,1-2H3/t12?,13-/m1/s1.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine?
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine has a molecular weight of 266.82 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 112736627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).