2-[(2S)-piperidin-1-ium-2-yl]ethanol

C7H16NO+ — CID 6566022

IUPAC2-[(2S)-piperidin-1-ium-2-yl]ethanol
SMILESOCC[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2/p+1/t7-/m0/s1
InChIKeyPTHDBHDZSMGHKF-ZETCQYMHSA-O
MW130.21 g/mol
LogP-0.52
Rot. Bonds2

About 2-[(2S)-piperidin-1-ium-2-yl]ethanol

2-[(2S)-piperidin-1-ium-2-yl]ethanol (PubChem CID 6566022) has the molecular formula C7H16NO+ and a molecular weight of 130.21 g/mol. Its IUPAC name is 2-[(2S)-piperidin-1-ium-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-piperidin-1-ium-2-yl]ethanol
PubChem CID6566022
Molecular FormulaC7H16NO+
Molecular Weight130.21 g/mol
Exact Mass130.12
IUPAC Name2-[(2S)-piperidin-1-ium-2-yl]ethanol
SMILESOCC[C@@H]1CCCC[NH2+]1
InChIInChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2/p+1/t7-/m0/s1
InChIKeyPTHDBHDZSMGHKF-ZETCQYMHSA-O
XLogP-0.52
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-piperidin-1-ium-2-yl]ethanol?
The IUPAC name of 2-[(2S)-piperidin-1-ium-2-yl]ethanol (CID 6566022) is 2-[(2S)-piperidin-1-ium-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-piperidin-1-ium-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-piperidin-1-ium-2-yl]ethanol is OCC[C@@H]1CCCC[NH2+]1.
What is the InChIKey of 2-[(2S)-piperidin-1-ium-2-yl]ethanol?
The InChIKey is PTHDBHDZSMGHKF-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H15NO/c9-6-4-7-3-1-2-5-8-7/h7-9H,1-6H2/p+1/t7-/m0/s1.
What are the key properties of 2-[(2S)-piperidin-1-ium-2-yl]ethanol?
2-[(2S)-piperidin-1-ium-2-yl]ethanol has a molecular weight of 130.21 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-piperidin-1-ium-2-yl]ethanol is sourced from PubChem (CID 6566022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).