2-[(2S)-1-methylpiperidin-2-yl]ethanol

C8H17NO — CID 6994502

IUPAC2-[(2S)-1-methylpiperidin-2-yl]ethanol
SMILESCN1CCCC[C@H]1CCO
InChIInChI=1S/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyOVMRRCXDBKEQIU-QMMMGPOBSA-N
MW143.23 g/mol
LogP0.85
Rot. Bonds2

About 2-[(2S)-1-methylpiperidin-2-yl]ethanol

2-[(2S)-1-methylpiperidin-2-yl]ethanol (PubChem CID 6994502) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-[(2S)-1-methylpiperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-methylpiperidin-2-yl]ethanol
PubChem CID6994502
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-[(2S)-1-methylpiperidin-2-yl]ethanol
SMILESCN1CCCC[C@H]1CCO
InChIInChI=1S/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyOVMRRCXDBKEQIU-QMMMGPOBSA-N
XLogP0.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-methylpiperidin-2-yl]ethanol (CID 6994502) is 2-[(2S)-1-methylpiperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-methylpiperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-methylpiperidin-2-yl]ethanol is CN1CCCC[C@H]1CCO.
What is the InChIKey of 2-[(2S)-1-methylpiperidin-2-yl]ethanol?
The InChIKey is OVMRRCXDBKEQIU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H17NO/c1-9-6-3-2-4-8(9)5-7-10/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of 2-[(2S)-1-methylpiperidin-2-yl]ethanol?
2-[(2S)-1-methylpiperidin-2-yl]ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-methylpiperidin-2-yl]ethanol is sourced from PubChem (CID 6994502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).