(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

C15H21ClN2O2 — CID 124688075

IUPAC(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2c(Cl)cccc2OC)C1
InChIInChI=1S/C15H21ClN2O2/c1-17-9-11-5-4-8-18(10-11)15(19)14-12(16)6-3-7-13(14)20-2/h3,6-7,11,17H,4-5,8-10H2,1-2H3/t11-/m1/s1
InChIKeyJPRGLTZHMUEAQS-LLVKDONJSA-N
MW296.80 g/mol
LogP2.42
Rot. Bonds4

About (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone

(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (PubChem CID 124688075) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
PubChem CID124688075
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
SMILESCNC[C@H]1CCCN(C(=O)c2c(Cl)cccc2OC)C1
InChIInChI=1S/C15H21ClN2O2/c1-17-9-11-5-4-8-18(10-11)15(19)14-12(16)6-3-7-13(14)20-2/h3,6-7,11,17H,4-5,8-10H2,1-2H3/t11-/m1/s1
InChIKeyJPRGLTZHMUEAQS-LLVKDONJSA-N
XLogP2.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-6-nitrophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 63658972
(2,3-dichlorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61204735
(4-methoxy-3-pyrrolidin-1-ylsulfonylphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 119396993
(3-bromo-4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398712
(5-fluoro-2-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119398683
4-(2,3-dichlorophenoxy)-1-[(3R)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124594630
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
2-(2-chlorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119396508
4-(2-chlorophenoxy)-1-[(3S)-3-(methylaminomethyl)piperidin-1-yl]butan-1-one
CID 124685926
N-[[(3S)-1-(2-chloro-6-fluorobenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95315280
(2-chloro-4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205270
2-[3-(methylaminomethyl)piperidine-1-carbonyl]benzoic acid
CID 61403916

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone (CID 124688075) is (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is CNC[C@H]1CCCN(C(=O)c2c(Cl)cccc2OC)C1.
What is the InChIKey of (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
The InChIKey is JPRGLTZHMUEAQS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-17-9-11-5-4-8-18(10-11)15(19)14-12(16)6-3-7-13(14)20-2/h3,6-7,11,17H,4-5,8-10H2,1-2H3/t11-/m1/s1.
What are the key properties of (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone?
(2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone has a molecular weight of 296.80 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-methoxyphenyl)-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 124688075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).