1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone

C15H21ClN2O2 — CID 124691784

IUPAC1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)COCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-8-13(17)6-7-18(11)15(19)10-20-9-12-4-2-3-5-14(12)16/h2-5,11,13H,6-10,17H2,1H3/t11-,13-/m0/s1
InChIKeyCSXACSQMVCHIKE-AAEUAGOBSA-N
MW296.80 g/mol
LogP2.19
Rot. Bonds4

About 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone

1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone (PubChem CID 124691784) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone
PubChem CID124691784
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)COCc1ccccc1Cl
InChIInChI=1S/C15H21ClN2O2/c1-11-8-13(17)6-7-18(11)15(19)10-20-9-12-4-2-3-5-14(12)16/h2-5,11,13H,6-10,17H2,1H3/t11-,13-/m0/s1
InChIKeyCSXACSQMVCHIKE-AAEUAGOBSA-N
XLogP2.19
TPSA55.56 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-2-(2-benzylphenoxy)ethanone
CID 124693951
1-(4-amino-2-methylpiperidin-1-yl)-3-(2,3-dichlorophenoxy)propan-1-one
CID 122149230
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(2-chloro-4-methoxyphenyl)ethanone
CID 124686078
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124691393
2-[(2-chlorophenyl)methoxy]-1-(3,5-dimethylpiperazin-1-yl)ethanone;hydrochloride
CID 119564197
(3R)-1-[2-[(2-chlorophenyl)methoxy]acetyl]pyrrolidine-3-carboxylic acid
CID 124700128
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(4-benzylpiperazin-1-yl)ethanone
CID 124689394
1-[(2R,4S)-4-amino-2-methylpiperidin-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 124687501
1-[2-(2-chlorophenoxy)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106742122
1-[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-2-(3-bromophenoxy)ethanone
CID 124689447
1-(4-amino-2-methylpiperidin-1-yl)-2-(1H-indol-3-yl)ethanone
CID 115312222
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-3-(3-chlorophenoxy)propan-1-one
CID 124693823

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone?
The IUPAC name of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone (CID 124691784) is 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone.
What is the SMILES notation for 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone?
The canonical SMILES for 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone is C[C@H]1C[C@@H](N)CCN1C(=O)COCc1ccccc1Cl.
What is the InChIKey of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone?
The InChIKey is CSXACSQMVCHIKE-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-11-8-13(17)6-7-18(11)15(19)10-20-9-12-4-2-3-5-14(12)16/h2-5,11,13H,6-10,17H2,1H3/t11-,13-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone?
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone has a molecular weight of 296.80 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-[(2-chlorophenyl)methoxy]ethanone is sourced from PubChem (CID 124691784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).