(3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol

C10H21NO2 — CID 122237124

IUPAC(3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol
SMILESCOC(C)CN1C[C@@H](O)CC[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-8-4-5-10(12)7-11(8)6-9(2)13-3/h8-10,12H,4-7H2,1-3H3/t8-,9?,10-/m0/s1
InChIKeyWMYYWTHZOFPINC-SMILAEQMSA-N
MW187.28 g/mol
LogP0.87
Rot. Bonds3

About (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol

(3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol (PubChem CID 122237124) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol
PubChem CID122237124
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol
SMILESCOC(C)CN1C[C@@H](O)CC[C@@H]1C
InChIInChI=1S/C10H21NO2/c1-8-4-5-10(12)7-11(8)6-9(2)13-3/h8-10,12H,4-7H2,1-3H3/t8-,9?,10-/m0/s1
InChIKeyWMYYWTHZOFPINC-SMILAEQMSA-N
XLogP0.87
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol?
The IUPAC name of (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol (CID 122237124) is (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol.
What is the SMILES notation for (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol?
The canonical SMILES for (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol is COC(C)CN1C[C@@H](O)CC[C@@H]1C.
What is the InChIKey of (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol?
The InChIKey is WMYYWTHZOFPINC-SMILAEQMSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8-4-5-10(12)7-11(8)6-9(2)13-3/h8-10,12H,4-7H2,1-3H3/t8-,9?,10-/m0/s1.
What are the key properties of (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol?
(3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol has a molecular weight of 187.28 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-(2-methoxypropyl)-6-methylpiperidin-3-ol is sourced from PubChem (CID 122237124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).