(1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol

C8H17NO — CID 147071920

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

About (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol

(1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol (PubChem CID 147071920) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol
PubChem CID147071920
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name(1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol
SMILESC[C@H](O)[C@@H]1CCCN(C)C1
InChIInChI=1S/C8H17NO/c1-7(10)8-4-3-5-9(2)6-8/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1
InChIKeyBFFKDHAWJKILRY-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

(1-Isopropylpiperidin-3-Yl)Methanol
CID 23559485
(1-Methyl-3-piperidyl)methanol
CID 97998
1-(Piperidin-3-yl)ethan-1-ol
CID 225570
2-(1-Methylpiperidin-3-yl)ethan-1-ol
CID 21702803
(1,3-Dimethylpiperidin-3-yl)methanol
CID 44827703
1-(1-Ethylpiperidin-4-yl)ethan-1-ol
CID 588327
1,2,5-Trimethylpiperidin-4-ol
CID 4367834
2-(1-Dodecyl-piperidin-4-yl)-propan-1-ol
CID 44271515
1-(1-Methylpiperidin-4-yl)ethan-1-ol
CID 13266403
3-(1-Methylpiperidin-4-yl)propan-1-ol
CID 15540677
1-(1-Propylpiperidin-3-yl)ethan-1-ol
CID 21317077
7-Methyl-7-azaspiro[3.5]nonan-2-ol
CID 129297478

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol?
The IUPAC name of (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol (CID 147071920) is (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol?
The canonical SMILES for (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol is C[C@H](O)[C@@H]1CCCN(C)C1.
What is the InChIKey of (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol?
The InChIKey is BFFKDHAWJKILRY-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO/c1-7(10)8-4-3-5-9(2)6-8/h7-8,10H,3-6H2,1-2H3/t7-,8+/m0/s1.
What are the key properties of (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol?
(1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol 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 (1S)-1-[(3R)-1-methylpiperidin-3-yl]ethanol is sourced from PubChem (CID 147071920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).