[(3R)-piperidin-1-ium-3-yl]methanol

C6H14NO+ — CID 6950195

IUPAC[(3R)-piperidin-1-ium-3-yl]methanol
SMILESOC[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/p+1/t6-/m1/s1
InChIKeyVUNPWIPIOOMCPT-ZCFIWIBFSA-O
MW116.18 g/mol
LogP-1.05
Rot. Bonds1

About [(3R)-piperidin-1-ium-3-yl]methanol

[(3R)-piperidin-1-ium-3-yl]methanol (PubChem CID 6950195) has the molecular formula C6H14NO+ and a molecular weight of 116.18 g/mol. Its IUPAC name is [(3R)-piperidin-1-ium-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-piperidin-1-ium-3-yl]methanol
PubChem CID6950195
Molecular FormulaC6H14NO+
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name[(3R)-piperidin-1-ium-3-yl]methanol
SMILESOC[C@@H]1CCC[NH2+]C1
InChIInChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/p+1/t6-/m1/s1
InChIKeyVUNPWIPIOOMCPT-ZCFIWIBFSA-O
XLogP-1.05
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(3R)-piperidin-1-ium-3-yl]methanol?
The IUPAC name of [(3R)-piperidin-1-ium-3-yl]methanol (CID 6950195) is [(3R)-piperidin-1-ium-3-yl]methanol.
What is the SMILES notation for [(3R)-piperidin-1-ium-3-yl]methanol?
The canonical SMILES for [(3R)-piperidin-1-ium-3-yl]methanol is OC[C@@H]1CCC[NH2+]C1.
What is the InChIKey of [(3R)-piperidin-1-ium-3-yl]methanol?
The InChIKey is VUNPWIPIOOMCPT-ZCFIWIBFSA-O. The full InChI is InChI=1S/C6H13NO/c8-5-6-2-1-3-7-4-6/h6-8H,1-5H2/p+1/t6-/m1/s1.
What are the key properties of [(3R)-piperidin-1-ium-3-yl]methanol?
[(3R)-piperidin-1-ium-3-yl]methanol has a molecular weight of 116.18 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-piperidin-1-ium-3-yl]methanol is sourced from PubChem (CID 6950195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).