1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone

C15H21ClN2O2 — CID 124686078

IUPAC1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC[C@H](N)C[C@H]2C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-7-12(17)5-6-18(10)15(19)8-11-3-4-13(20-2)9-14(11)16/h3-4,9-10,12H,5-8,17H2,1-2H3/t10-,12+/m1/s1
InChIKeyLKLNHDOHVCDLEQ-PWSUYJOCSA-N
MW296.80 g/mol
LogP2.23
Rot. Bonds3

About 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone

1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone (PubChem CID 124686078) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
PubChem CID124686078
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CC[C@H](N)C[C@H]2C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O2/c1-10-7-12(17)5-6-18(10)15(19)8-11-3-4-13(20-2)9-14(11)16/h3-4,9-10,12H,5-8,17H2,1-2H3/t10-,12+/m1/s1
InChIKeyLKLNHDOHVCDLEQ-PWSUYJOCSA-N
XLogP2.23
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686069
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501
1-[2-(2-chloro-4-methoxyphenyl)acetyl]piperidine-4-carboxamide
CID 110769975
2-(2-chloro-4-methoxyphenyl)-1-[4-(ethoxymethyl)piperidin-1-yl]ethanone
CID 71918620
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone
CID 124691784
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 124691920
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823
N-[(1S)-3-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 124687153
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-methylphenyl)ethanone
CID 99607444
1-[4-[2-(2-chloro-4-methoxyphenyl)acetyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110800357
1-(4-amino-2-methylpiperidin-1-yl)-3-(4-methoxyphenyl)but-2-en-1-one
CID 126779850
2-(2-chloro-4-methoxyphenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 110023582

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone?
The IUPAC name of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone (CID 124686078) is 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CC[C@H](N)C[C@H]2C)c(Cl)c1.
What is the InChIKey of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone?
The InChIKey is LKLNHDOHVCDLEQ-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-10-7-12(17)5-6-18(10)15(19)8-11-3-4-13(20-2)9-14(11)16/h3-4,9-10,12H,5-8,17H2,1-2H3/t10-,12+/m1/s1.
What are the key properties of 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone?
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone has a molecular weight of 296.80 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 124686078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).