(3S,4S)-3-methoxy-1-methylpiperidin-4-ol

C7H15NO2 — CID 154669394

IUPAC(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
SMILESCO[C@H]1CN(C)CC[C@@H]1O
InChIInChI=1S/C7H15NO2/c1-8-4-3-6(9)7(5-8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyMGEDQCDJJRKPGB-BQBZGAKWSA-N
MW145.20 g/mol
LogP-0.30
Rot. Bonds1

About (3S,4S)-3-methoxy-1-methylpiperidin-4-ol

(3S,4S)-3-methoxy-1-methylpiperidin-4-ol (PubChem CID 154669394) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3S,4S)-3-methoxy-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
PubChem CID154669394
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3S,4S)-3-methoxy-1-methylpiperidin-4-ol
SMILESCO[C@H]1CN(C)CC[C@@H]1O
InChIInChI=1S/C7H15NO2/c1-8-4-3-6(9)7(5-8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyMGEDQCDJJRKPGB-BQBZGAKWSA-N
XLogP-0.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-3-methoxy-1-methylpiperidine
CID 58394887
ethane;(3R)-3-methoxy-1-methylpiperidin-4-amine
CID 145443384
(3R,4R)-3,4-dimethoxy-1-methylpyrrolidine
CID 59319954
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
methyl (3S,4S)-4-hydroxy-1-methylpiperidine-3-carboxylate
CID 21150450
N-ethyl-3-methoxy-1-methylpiperidin-4-amine
CID 178010452
(3S,4S)-3-ethoxy-1-methylazepan-4-ol
CID 170715059
(4S)-4-ethyl-1-methylpiperidin-3-ol
CID 142979946
1-benzyl-3-methoxypiperidin-4-ol
CID 54277205
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
(2S)-2-methoxycyclohexan-1-ol
CID 11105391
(3S,4R)-4-(iodomethyl)-1-methylpiperidin-3-ol
CID 89166355

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-methoxy-1-methylpiperidin-4-ol?
The IUPAC name of (3S,4S)-3-methoxy-1-methylpiperidin-4-ol (CID 154669394) is (3S,4S)-3-methoxy-1-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4S)-3-methoxy-1-methylpiperidin-4-ol?
The canonical SMILES for (3S,4S)-3-methoxy-1-methylpiperidin-4-ol is CO[C@H]1CN(C)CC[C@@H]1O.
What is the InChIKey of (3S,4S)-3-methoxy-1-methylpiperidin-4-ol?
The InChIKey is MGEDQCDJJRKPGB-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H15NO2/c1-8-4-3-6(9)7(5-8)10-2/h6-7,9H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of (3S,4S)-3-methoxy-1-methylpiperidin-4-ol?
(3S,4S)-3-methoxy-1-methylpiperidin-4-ol has a molecular weight of 145.20 g/mol, XLogP of -0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-methoxy-1-methylpiperidin-4-ol is sourced from PubChem (CID 154669394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).