(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol

C9H19NO2 — CID 129445729

IUPAC(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCOCCN1CC[C@@H](O)[C@H](C)C1
InChIInChI=1S/C9H19NO2/c1-8-7-10(5-6-12-2)4-3-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPMNNTDBJDMSCSS-RKDXNWHRSA-N
MW173.26 g/mol
LogP0.34
Rot. Bonds3

About (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol

(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol (PubChem CID 129445729) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
PubChem CID129445729
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCOCCN1CC[C@@H](O)[C@H](C)C1
InChIInChI=1S/C9H19NO2/c1-8-7-10(5-6-12-2)4-3-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPMNNTDBJDMSCSS-RKDXNWHRSA-N
XLogP0.34
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183
3-methyl-1-(2-piperidin-1-ylethyl)piperidin-4-ol
CID 114502746
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
1-[2-[4-(aminomethyl)phenoxy]ethyl]-3-methylpiperidin-4-ol
CID 114678048
1-(2-methoxypropyl)-3-methylpiperidin-4-ol
CID 114502642
1-[2-(2,5-dimethylphenoxy)ethyl]-3-methylpiperidin-4-ol
CID 114681408
1-[3-(3,5-dimethylphenoxy)propyl]-3-methylpiperidin-4-ol
CID 114681512
1-[2-(3-bromo-5-fluorophenoxy)ethyl]-3-methylpiperidin-4-ol
CID 119039460

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol (CID 129445729) is (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol is COCCN1CC[C@@H](O)[C@H](C)C1.
What is the InChIKey of (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The InChIKey is PMNNTDBJDMSCSS-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-7-10(5-6-12-2)4-3-9(8)11/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 129445729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).