5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline

C16H26N2O — CID 140843860

IUPAC5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline
SMILES[2H]C1([2H])CC(c2cc(OC(C)C)c(N)cc2C)CC([2H])(C)N1
InChIInChI=1S/C16H26N2O/c1-10(2)19-16-9-14(11(3)7-15(16)17)13-5-6-18-12(4)8-13/h7,9-10,12-13,18H,5-6,8,17H2,1-4H3/i6D2,12D
InChIKeyYZUBKHZNAVBMQN-GUJSMHJNSA-N
MW265.42 g/mol
LogP3.22
Rot. Bonds3

About 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline

5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline (PubChem CID 140843860) has the molecular formula C16H26N2O and a molecular weight of 265.42 g/mol. Its IUPAC name is 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline.

Molecular Properties

Compound Name5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline
PubChem CID140843860
Molecular FormulaC16H26N2O
Molecular Weight265.42 g/mol
Exact Mass265.22
IUPAC Name5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline
SMILES[2H]C1([2H])CC(c2cc(OC(C)C)c(N)cc2C)CC([2H])(C)N1
InChIInChI=1S/C16H26N2O/c1-10(2)19-16-9-14(11(3)7-15(16)17)13-5-6-18-12(4)8-13/h7,9-10,12-13,18H,5-6,8,17H2,1-4H3/i6D2,12D
InChIKeyYZUBKHZNAVBMQN-GUJSMHJNSA-N
XLogP3.22
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline?
The IUPAC name of 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline (CID 140843860) is 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline.
What is the SMILES notation for 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline?
The canonical SMILES for 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline is [2H]C1([2H])CC(c2cc(OC(C)C)c(N)cc2C)CC([2H])(C)N1.
What is the InChIKey of 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline?
The InChIKey is YZUBKHZNAVBMQN-GUJSMHJNSA-N. The full InChI is InChI=1S/C16H26N2O/c1-10(2)19-16-9-14(11(3)7-15(16)17)13-5-6-18-12(4)8-13/h7,9-10,12-13,18H,5-6,8,17H2,1-4H3/i6D2,12D.
What are the key properties of 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline?
5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline has a molecular weight of 265.42 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-propan-2-yloxy-4-(2,2,6-trideuterio-6-methylpiperidin-4-yl)aniline is sourced from PubChem (CID 140843860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).