(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol

C14H25NO — CID 167013931

IUPAC(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol
SMILESC=C/C=C1\CC(C)N[C@H](CC(C)(C)C)[C@H]1O
InChIInChI=1S/C14H25NO/c1-6-7-11-8-10(2)15-12(13(11)16)9-14(3,4)5/h6-7,10,12-13,15-16H,1,8-9H2,2-5H3/b11-7+/t10?,12-,13+/m1/s1
InChIKeyDUAZVOJVWCFAPI-YDOHJCLASA-N
MW223.36 g/mol
LogP2.65
Rot. Bonds2

About (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol

(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol (PubChem CID 167013931) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol.

Molecular Properties

Compound Name(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol
PubChem CID167013931
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol
SMILESC=C/C=C1\CC(C)N[C@H](CC(C)(C)C)[C@H]1O
InChIInChI=1S/C14H25NO/c1-6-7-11-8-10(2)15-12(13(11)16)9-14(3,4)5/h6-7,10,12-13,15-16H,1,8-9H2,2-5H3/b11-7+/t10?,12-,13+/m1/s1
InChIKeyDUAZVOJVWCFAPI-YDOHJCLASA-N
XLogP2.65
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol?
The IUPAC name of (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol (CID 167013931) is (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol.
What is the SMILES notation for (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol?
The canonical SMILES for (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol is C=C/C=C1\CC(C)N[C@H](CC(C)(C)C)[C@H]1O.
What is the InChIKey of (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol?
The InChIKey is DUAZVOJVWCFAPI-YDOHJCLASA-N. The full InChI is InChI=1S/C14H25NO/c1-6-7-11-8-10(2)15-12(13(11)16)9-14(3,4)5/h6-7,10,12-13,15-16H,1,8-9H2,2-5H3/b11-7+/t10?,12-,13+/m1/s1.
What are the key properties of (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol?
(2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4E)-2-(2,2-dimethylpropyl)-6-methyl-4-prop-2-enylidenepiperidin-3-ol is sourced from PubChem (CID 167013931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).