ethanol;(2S)-1-ethyl-2-methylpiperidine

C10H23NO — CID 170618464

IUPACethanol;(2S)-1-ethyl-2-methylpiperidine
SMILESCCN1CCCC[C@@H]1C.CCO
InChIInChI=1S/C8H17N.C2H6O/c1-3-9-7-5-4-6-8(9)2;1-2-3/h8H,3-7H2,1-2H3;3H,2H2,1H3/t8-;/m0./s1
InChIKeyPFFIRWDFWYUPIC-QRPNPIFTSA-N
MW173.30 g/mol
LogP1.88
Rot. Bonds1

About ethanol;(2S)-1-ethyl-2-methylpiperidine

ethanol;(2S)-1-ethyl-2-methylpiperidine (PubChem CID 170618464) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is ethanol;(2S)-1-ethyl-2-methylpiperidine.

Molecular Properties

Compound Nameethanol;(2S)-1-ethyl-2-methylpiperidine
PubChem CID170618464
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Nameethanol;(2S)-1-ethyl-2-methylpiperidine
SMILESCCN1CCCC[C@@H]1C.CCO
InChIInChI=1S/C8H17N.C2H6O/c1-3-9-7-5-4-6-8(9)2;1-2-3/h8H,3-7H2,1-2H3;3H,2H2,1H3/t8-;/m0./s1
InChIKeyPFFIRWDFWYUPIC-QRPNPIFTSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethanol;(2S)-1-ethyl-2-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-ethyl-2-methylazepane
CID 145020951
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
(2-methylpiperidin-1-yl)methanol
CID 67262865
1-ethyl-2-methylpyrrolidine;methanesulfonic acid
CID 175583828
2-methyl-1-(methylsulfanylmethyl)piperidine
CID 167191719
(1-ethylazepan-2-yl)methanol
CID 2849413
trifluoro-[(2-methylpiperidin-1-yl)methyl]boranuide
CID 63704351
2-[(2S)-1-ethylpiperidin-2-yl]ethanol
CID 26365884
(2R)-2-methyl-3-[(2R)-2-methylpiperidin-1-yl]propan-1-ol
CID 51777105
3-[(2-methylazepan-1-yl)methyl]pentan-3-amine
CID 79813474
3-(2-methylazepan-1-yl)propane-1,2-diol
CID 82850957
2-fluoro-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 135391104

Frequently Asked Questions

What is the IUPAC name of ethanol;(2S)-1-ethyl-2-methylpiperidine?
The IUPAC name of ethanol;(2S)-1-ethyl-2-methylpiperidine (CID 170618464) is ethanol;(2S)-1-ethyl-2-methylpiperidine.
What is the SMILES notation for ethanol;(2S)-1-ethyl-2-methylpiperidine?
The canonical SMILES for ethanol;(2S)-1-ethyl-2-methylpiperidine is CCN1CCCC[C@@H]1C.CCO.
What is the InChIKey of ethanol;(2S)-1-ethyl-2-methylpiperidine?
The InChIKey is PFFIRWDFWYUPIC-QRPNPIFTSA-N. The full InChI is InChI=1S/C8H17N.C2H6O/c1-3-9-7-5-4-6-8(9)2;1-2-3/h8H,3-7H2,1-2H3;3H,2H2,1H3/t8-;/m0./s1.
What are the key properties of ethanol;(2S)-1-ethyl-2-methylpiperidine?
ethanol;(2S)-1-ethyl-2-methylpiperidine has a molecular weight of 173.30 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;(2S)-1-ethyl-2-methylpiperidine is sourced from PubChem (CID 170618464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).