(3S,4R)-1-ethyl-3-methylpiperidin-4-ol

C8H17NO — CID 143448112

IUPAC(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
SMILESCCN1CC[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C8H17NO/c1-3-9-5-4-8(10)7(2)6-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyRWSUGYZGBWYYCD-JGVFFNPUSA-N
MW143.23 g/mol
LogP0.71
Rot. Bonds1

About (3S,4R)-1-ethyl-3-methylpiperidin-4-ol

(3S,4R)-1-ethyl-3-methylpiperidin-4-ol (PubChem CID 143448112) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (3S,4R)-1-ethyl-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
PubChem CID143448112
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
SMILESCCN1CC[C@@H](O)[C@@H](C)C1
InChIInChI=1S/C8H17NO/c1-3-9-5-4-8(10)7(2)6-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyRWSUGYZGBWYYCD-JGVFFNPUSA-N
XLogP0.71
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-piperidin-1-ylethyl)piperidin-4-ol
CID 114502746
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
(3S,4R)-1-ethyl-3-fluoropiperidin-4-ol
CID 67202820
1-ethyl-3-fluoropiperidin-4-ol
CID 58266532
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
3-methyl-1-[2-(methylamino)ethyl]piperidin-4-ol
CID 114681093
1-ethyl-4-methylpyrrolidin-3-ol;N-methylmethanamine
CID 175162550
(3S,4S)-1-(5-fluoropentyl)-3-methylpiperidin-4-ol
CID 124862124
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
3-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidin-4-ol
CID 114502590

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-ethyl-3-methylpiperidin-4-ol?
The IUPAC name of (3S,4R)-1-ethyl-3-methylpiperidin-4-ol (CID 143448112) is (3S,4R)-1-ethyl-3-methylpiperidin-4-ol.
What is the SMILES notation for (3S,4R)-1-ethyl-3-methylpiperidin-4-ol?
The canonical SMILES for (3S,4R)-1-ethyl-3-methylpiperidin-4-ol is CCN1CC[C@@H](O)[C@@H](C)C1.
What is the InChIKey of (3S,4R)-1-ethyl-3-methylpiperidin-4-ol?
The InChIKey is RWSUGYZGBWYYCD-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-3-9-5-4-8(10)7(2)6-9/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (3S,4R)-1-ethyl-3-methylpiperidin-4-ol?
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol has a molecular weight of 143.23 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-ethyl-3-methylpiperidin-4-ol is sourced from PubChem (CID 143448112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).