(3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol

C9H13NO — CID 89021103

IUPAC(3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol
SMILESC=C1C(=C)[C@@H](O)CN(C)C1=C
InChIInChI=1S/C9H13NO/c1-6-7(2)9(11)5-10(4)8(6)3/h9,11H,1-3,5H2,4H3/t9-/m0/s1
InChIKeyXOUDWBAGHLBCFG-VIFPVBQESA-N
MW151.21 g/mol
LogP0.92
Rot. Bonds

About (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol

(3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol (PubChem CID 89021103) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol.

Molecular Properties

Compound Name(3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol
PubChem CID89021103
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol
SMILESC=C1C(=C)[C@@H](O)CN(C)C1=C
InChIInChI=1S/C9H13NO/c1-6-7(2)9(11)5-10(4)8(6)3/h9,11H,1-3,5H2,4H3/t9-/m0/s1
InChIKeyXOUDWBAGHLBCFG-VIFPVBQESA-N
XLogP0.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol?
The IUPAC name of (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol (CID 89021103) is (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol.
What is the SMILES notation for (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol?
The canonical SMILES for (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol is C=C1C(=C)[C@@H](O)CN(C)C1=C.
What is the InChIKey of (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol?
The InChIKey is XOUDWBAGHLBCFG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H13NO/c1-6-7(2)9(11)5-10(4)8(6)3/h9,11H,1-3,5H2,4H3/t9-/m0/s1.
What are the key properties of (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol?
(3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol has a molecular weight of 151.21 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-methyl-4,5,6-trimethylidenepiperidin-3-ol is sourced from PubChem (CID 89021103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).