[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride

C6H14ClNO2 — CID 170902129

IUPAC[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
SMILESCl.N[C@H]1CCO[C@@H](CO)C1
InChIInChI=1S/C6H13NO2.ClH/c7-5-1-2-9-6(3-5)4-8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m0./s1
InChIKeyDNCCNLRVKXMFOV-RIHPBJNCSA-N
MW167.64 g/mol
LogP-0.09
Rot. Bonds1

About [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride

[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride (PubChem CID 170902129) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
PubChem CID170902129
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride
SMILESCl.N[C@H]1CCO[C@@H](CO)C1
InChIInChI=1S/C6H13NO2.ClH/c7-5-1-2-9-6(3-5)4-8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m0./s1
InChIKeyDNCCNLRVKXMFOV-RIHPBJNCSA-N
XLogP-0.09
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride?
The IUPAC name of [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride (CID 170902129) is [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride.
What is the SMILES notation for [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride?
The canonical SMILES for [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride is Cl.N[C@H]1CCO[C@@H](CO)C1.
What is the InChIKey of [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride?
The InChIKey is DNCCNLRVKXMFOV-RIHPBJNCSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c7-5-1-2-9-6(3-5)4-8;/h5-6,8H,1-4,7H2;1H/t5-,6+;/m0./s1.
What are the key properties of [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride?
[(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-4-aminooxan-2-yl]methanol;hydrochloride is sourced from PubChem (CID 170902129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).