1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone

C17H26N2O2 — CID 1459332

IUPAC1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
SMILESCOc1cccc(CNCC(=O)N2[C@H](C)CCC[C@H]2C)c1
InChIInChI=1S/C17H26N2O2/c1-13-6-4-7-14(2)19(13)17(20)12-18-11-15-8-5-9-16(10-15)21-3/h5,8-10,13-14,18H,4,6-7,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyMJPOGXNGYJYFPQ-ZIAGYGMSSA-N
MW290.41 g/mol
LogP2.57
Rot. Bonds5

About 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone

1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone (PubChem CID 1459332) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
PubChem CID1459332
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone
SMILESCOc1cccc(CNCC(=O)N2[C@H](C)CCC[C@H]2C)c1
InChIInChI=1S/C17H26N2O2/c1-13-6-4-7-14(2)19(13)17(20)12-18-11-15-8-5-9-16(10-15)21-3/h5,8-10,13-14,18H,4,6-7,11-12H2,1-3H3/t13-,14-/m1/s1
InChIKeyMJPOGXNGYJYFPQ-ZIAGYGMSSA-N
XLogP2.57
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
1-(2,6-dimethylpiperidin-1-yl)-2-[(4-methylphenyl)methylamino]ethanone
CID 19164018
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
2-(1,3-benzodioxol-5-ylmethylamino)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 24746885
2-(cyclopropylmethylamino)-N-[(3-methoxyphenyl)methyl]acetamide;hydrochloride
CID 119678219
(2,6-dimethylpiperidin-1-yl)-(3-methoxyphenyl)methanone
CID 2852240
2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 3226633
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
tert-butyl 2-[(3-methoxyphenyl)methylamino]acetate
CID 18698419
trans-(1S,2S)-1-N,2-N-bis[(3-methoxyphenyl)methyl]cyclohexane-1,2-diamine
CID 132575811
3-cyclopropyl-N-[(3-methoxyphenyl)methyl]cyclohexan-1-amine
CID 64623988
2-(2,4-dimethoxyphenyl)-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 110767883

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone?
The IUPAC name of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone (CID 1459332) is 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone.
What is the SMILES notation for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone?
The canonical SMILES for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone is COc1cccc(CNCC(=O)N2[C@H](C)CCC[C@H]2C)c1.
What is the InChIKey of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone?
The InChIKey is MJPOGXNGYJYFPQ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-13-6-4-7-14(2)19(13)17(20)12-18-11-15-8-5-9-16(10-15)21-3/h5,8-10,13-14,18H,4,6-7,11-12H2,1-3H3/t13-,14-/m1/s1.
What are the key properties of 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone?
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone has a molecular weight of 290.41 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-[(3-methoxyphenyl)methylamino]ethanone is sourced from PubChem (CID 1459332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).