2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine

C19H32N2O — CID 119114791

IUPAC2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)Oc1cccc(CNC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C19H32N2O/c1-14(2)22-17-9-7-8-15(10-17)13-20-16-11-18(3,4)21-19(5,6)12-16/h7-10,14,16,20-21H,11-13H2,1-6H3
InChIKeyMSNJROYQXCRMOI-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.87
Rot. Bonds5

About 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine

2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (PubChem CID 119114791) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
PubChem CID119114791
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine
SMILESCC(C)Oc1cccc(CNC2CC(C)(C)NC(C)(C)C2)c1
InChIInChI=1S/C19H32N2O/c1-14(2)22-17-9-7-8-15(10-17)13-20-16-11-18(3,4)21-19(5,6)12-16/h7-10,14,16,20-21H,11-13H2,1-6H3
InChIKeyMSNJROYQXCRMOI-UHFFFAOYSA-N
XLogP3.87
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,3,3-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 79359174
N-[(3-bromophenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 28674695
3-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzamide
CID 63277160
4-[(3-propan-2-yloxyphenyl)methylamino]cyclohexane-1-carboxamide
CID 61212060
2-methyl-N-[(3-propan-2-yloxyphenyl)methyl]oxan-4-amine
CID 103887972
N-[(3-but-3-en-2-yloxyphenyl)methyl]cyclopropanamine
CID 62388606
(1R)-1-cyclopentyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81394417
4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methyl]benzene-1,2-diol
CID 28674803
1-cyclohexyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 63476778
(1S)-1-cycloheptyl-N-[(3-propan-2-yloxyphenyl)methyl]ethanamine
CID 81390243
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-[(3-fluoro-4-methoxyphenyl)methyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 60687154

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine (CID 119114791) is 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is CC(C)Oc1cccc(CNC2CC(C)(C)NC(C)(C)C2)c1.
What is the InChIKey of 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
The InChIKey is MSNJROYQXCRMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O/c1-14(2)22-17-9-7-8-15(10-17)13-20-16-11-18(3,4)21-19(5,6)12-16/h7-10,14,16,20-21H,11-13H2,1-6H3.
What are the key properties of 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine?
2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine has a molecular weight of 304.48 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetramethyl-N-[(3-propan-2-yloxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 119114791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).