(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol

C13H27NO2 — CID 10998787

IUPAC(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol
SMILESCOC[C@H]([C@@H](O)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C13H27NO2/c1-13(2,3)12(15)11(10-16-4)14-8-6-5-7-9-14/h11-12,15H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyWWJDSDNMXQTNCU-VXGBXAGGSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds4

About (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol

(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol (PubChem CID 10998787) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol.

Molecular Properties

Compound Name(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol
PubChem CID10998787
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol
SMILESCOC[C@H]([C@@H](O)C(C)(C)C)N1CCCCC1
InChIInChI=1S/C13H27NO2/c1-13(2,3)12(15)11(10-16-4)14-8-6-5-7-9-14/h11-12,15H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyWWJDSDNMXQTNCU-VXGBXAGGSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol?
The IUPAC name of (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol (CID 10998787) is (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol.
What is the SMILES notation for (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol?
The canonical SMILES for (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol is COC[C@H]([C@@H](O)C(C)(C)C)N1CCCCC1.
What is the InChIKey of (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol?
The InChIKey is WWJDSDNMXQTNCU-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H27NO2/c1-13(2,3)12(15)11(10-16-4)14-8-6-5-7-9-14/h11-12,15H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol?
(2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-1-methoxy-4,4-dimethyl-2-piperidin-1-ylpentan-3-ol is sourced from PubChem (CID 10998787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).