2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol

C8H17NO — CID 172701028

IUPAC2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
SMILESC[C@@H]1CC[C@@H](CCO)CN1
InChIInChI=1S/C8H17NO/c1-7-2-3-8(4-5-10)6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyCYUBEWGYSOITSZ-SFYZADRCSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol

2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol (PubChem CID 172701028) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
PubChem CID172701028
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol
SMILESC[C@@H]1CC[C@@H](CCO)CN1
InChIInChI=1S/C8H17NO/c1-7-2-3-8(4-5-10)6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m1/s1
InChIKeyCYUBEWGYSOITSZ-SFYZADRCSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,6S)-6-methylpiperidin-3-yl]methanol
CID 96581848
[(3S,6S)-6-methylpiperidin-3-yl]methanol;hydrochloride
CID 166105009
2-methyl-5-(3-methylbutyl)piperidine
CID 104823506
(5R)-5-ethyl-2-methylpiperidine
CID 89383563
5-(3-methoxypropyl)-2-methylpiperidine
CID 106781710
methyl 3-[(3S,6R)-6-methylpiperidin-3-yl]propanoate
CID 155820793
5-(3-methoxy-3-methylbutyl)-2-methylpiperidine
CID 106777707
2-[(2R)-2-methylpiperidin-4-yl]ethanol
CID 89139578
methyl 2-(6-methylpiperidin-3-yl)acetate
CID 142278548
2-[(3S)-6-methylpiperidin-3-yl]acetonitrile
CID 159706761
4-[2-(6-methylpiperidin-3-yl)ethyl]pyridine
CID 104823519
5-[2-(4-methoxyphenyl)ethyl]-2-methylpiperidine
CID 106779333

Frequently Asked Questions

What is the IUPAC name of 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol?
The IUPAC name of 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol (CID 172701028) is 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol.
What is the SMILES notation for 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol?
The canonical SMILES for 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol is C[C@@H]1CC[C@@H](CCO)CN1.
What is the InChIKey of 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol?
The InChIKey is CYUBEWGYSOITSZ-SFYZADRCSA-N. The full InChI is InChI=1S/C8H17NO/c1-7-2-3-8(4-5-10)6-9-7/h7-10H,2-6H2,1H3/t7-,8+/m1/s1.
What are the key properties of 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol?
2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S,6R)-6-methylpiperidin-3-yl]ethanol is sourced from PubChem (CID 172701028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).