2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol

C14H24N2O2 — CID 125027521

IUPAC2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol
SMILESOCC[C@@H]1CCCCN1[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H24N2O2/c17-8-6-12-3-1-2-7-16(12)14-11-5-4-10(9-11)13(14)15-18/h10-12,14,17-18H,1-9H2/b15-13-/t10-,11-,12-,14-/m0/s1
InChIKeyVUNZXGNWQTWYDB-BGVZYJBKSA-N
MW252.36 g/mol
LogP1.85
Rot. Bonds3

About 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol

2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol (PubChem CID 125027521) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol
PubChem CID125027521
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol
SMILESOCC[C@@H]1CCCCN1[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2
InChIInChI=1S/C14H24N2O2/c17-8-6-12-3-1-2-7-16(12)14-11-5-4-10(9-11)13(14)15-18/h10-12,14,17-18H,1-9H2/b15-13-/t10-,11-,12-,14-/m0/s1
InChIKeyVUNZXGNWQTWYDB-BGVZYJBKSA-N
XLogP1.85
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol (CID 125027521) is 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol is OCC[C@@H]1CCCCN1[C@@H]1/C(=N\O)[C@H]2CC[C@H]1C2.
What is the InChIKey of 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol?
The InChIKey is VUNZXGNWQTWYDB-BGVZYJBKSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-8-6-12-3-1-2-7-16(12)14-11-5-4-10(9-11)13(14)15-18/h10-12,14,17-18H,1-9H2/b15-13-/t10-,11-,12-,14-/m0/s1.
What are the key properties of 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol?
2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol has a molecular weight of 252.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol is sourced from PubChem (CID 125027521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).