2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine

C16H26N2O — CID 16642768

IUPAC2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CN)N2[C@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C16H26N2O/c1-12-6-4-7-13(2)18(12)16(11-17)14-8-5-9-15(10-14)19-3/h5,8-10,12-13,16H,4,6-7,11,17H2,1-3H3/t12-,13+,16?
InChIKeyHBRFZQNSUKRMLU-OCZCAGDBSA-N
MW262.40 g/mol
LogP2.96
Rot. Bonds4

About 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine

2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine (PubChem CID 16642768) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
PubChem CID16642768
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine
SMILESCOc1cccc(C(CN)N2[C@H](C)CCC[C@@H]2C)c1
InChIInChI=1S/C16H26N2O/c1-12-6-4-7-13(2)18(12)16(11-17)14-8-5-9-15(10-14)19-3/h5,8-10,12-13,16H,4,6-7,11,17H2,1-3H3/t12-,13+,16?
InChIKeyHBRFZQNSUKRMLU-OCZCAGDBSA-N
XLogP2.96
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16792621
2-(2,6-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 82041284
2-(3-methoxyphenyl)-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanamine
CID 102742931
2-(3-methoxyphenyl)-2-(3-methyl-4-propylpiperazin-1-yl)ethanamine
CID 83978033
2-(4-ethylpiperazin-1-yl)-2-(3-methoxyphenyl)ethanamine
CID 16782572
(1S)-2-[(1R)-2-amino-1-(3-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 70378403
N-cyclohexyl-N-ethyl-1-(3-methoxyphenyl)ethane-1,2-diamine
CID 16783431
2-(2-ethylmorpholin-4-yl)-2-(3-methoxyphenyl)ethanamine
CID 43562486
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749
4-[2-amino-1-(3-methoxyphenyl)ethyl]-1-methylpiperazin-2-one
CID 64681749
2-(cyclohexylmethoxy)-2-(3-methoxyphenyl)ethanamine
CID 62383844
4-(3-methoxyphenyl)-4-piperidin-1-ylbutan-1-amine
CID 112501196

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine?
The IUPAC name of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine (CID 16642768) is 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine.
What is the SMILES notation for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine?
The canonical SMILES for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine is COc1cccc(C(CN)N2[C@H](C)CCC[C@@H]2C)c1.
What is the InChIKey of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine?
The InChIKey is HBRFZQNSUKRMLU-OCZCAGDBSA-N. The full InChI is InChI=1S/C16H26N2O/c1-12-6-4-7-13(2)18(12)16(11-17)14-8-5-9-15(10-14)19-3/h5,8-10,12-13,16H,4,6-7,11,17H2,1-3H3/t12-,13+,16?.
What are the key properties of 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine?
2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine has a molecular weight of 262.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-(3-methoxyphenyl)ethanamine is sourced from PubChem (CID 16642768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).