(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol

C8H17NO2 — CID 143640316

IUPAC(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
SMILESCN1CCC([C@H](O)CO)CC1
InChIInChI=1S/C8H17NO2/c1-9-4-2-7(3-5-9)8(11)6-10/h7-8,10-11H,2-6H2,1H3/t8-/m1/s1
InChIKeyQEIYCPAPYXUGTN-MRVPVSSYSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds2

About (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol

(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol (PubChem CID 143640316) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
PubChem CID143640316
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
SMILESCN1CCC([C@H](O)CO)CC1
InChIInChI=1S/C8H17NO2/c1-9-4-2-7(3-5-9)8(11)6-10/h7-8,10-11H,2-6H2,1H3/t8-/m1/s1
InChIKeyQEIYCPAPYXUGTN-MRVPVSSYSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpiperidin-4-yl)-2-sulfanylethanol
CID 117238993
2-(dimethylamino)-1-(1-methylpiperidin-4-yl)ethanol
CID 117238580
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
(1-methylpiperidin-4-yl)methanediol
CID 21366498
2-hydroxy-2-(1-methylpiperidin-4-yl)ethanesulfonic acid
CID 115034054
2-(4,4-dimethylpiperidin-1-yl)-1-(1-methylpiperidin-4-yl)ethanol
CID 76828432
ethyl 3-hydroxy-3-(1-methylpiperidin-4-yl)propanoate
CID 12535231
1-methyl-4-propan-2-ylpiperidine;pentane
CID 163403210
(2S)-2-methyl-3-(1-methylpiperidin-4-yl)propan-1-ol
CID 170321854
1-[3-(1-hydroxypropyl)cyclohexyl]ethane-1,2-diol
CID 58100174
[3-hydroxy-2-(1-methylpiperidin-4-yl)propyl] hypoiodite
CID 146536290
1-cyclopropyl-2-[(1-methylpiperidin-4-yl)methylamino]ethanol
CID 63295066

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol?
The IUPAC name of (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol (CID 143640316) is (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol.
What is the SMILES notation for (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol?
The canonical SMILES for (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol is CN1CCC([C@H](O)CO)CC1.
What is the InChIKey of (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol?
The InChIKey is QEIYCPAPYXUGTN-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-9-4-2-7(3-5-9)8(11)6-10/h7-8,10-11H,2-6H2,1H3/t8-/m1/s1.
What are the key properties of (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol?
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 143640316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).