(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol

C12H25NO — CID 135038487

IUPAC(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol
SMILESCCCN1C[C@H](O)[C@@H](C)[C@H](C)[C@H]1CC
InChIInChI=1S/C12H25NO/c1-5-7-13-8-12(14)10(4)9(3)11(13)6-2/h9-12,14H,5-8H2,1-4H3/t9-,10-,11+,12-/m0/s1
InChIKeyWJVVAMPWTXYUJC-YFKTTZPYSA-N
MW199.34 g/mol
LogP2.12
Rot. Bonds3

About (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol

(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol (PubChem CID 135038487) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol
PubChem CID135038487
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol
SMILESCCCN1C[C@H](O)[C@@H](C)[C@H](C)[C@H]1CC
InChIInChI=1S/C12H25NO/c1-5-7-13-8-12(14)10(4)9(3)11(13)6-2/h9-12,14H,5-8H2,1-4H3/t9-,10-,11+,12-/m0/s1
InChIKeyWJVVAMPWTXYUJC-YFKTTZPYSA-N
XLogP2.12
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol?
The IUPAC name of (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol (CID 135038487) is (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol.
What is the SMILES notation for (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol?
The canonical SMILES for (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol is CCCN1C[C@H](O)[C@@H](C)[C@H](C)[C@H]1CC.
What is the InChIKey of (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol?
The InChIKey is WJVVAMPWTXYUJC-YFKTTZPYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-13-8-12(14)10(4)9(3)11(13)6-2/h9-12,14H,5-8H2,1-4H3/t9-,10-,11+,12-/m0/s1.
What are the key properties of (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol?
(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol is sourced from PubChem (CID 135038487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).