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

C13H22N2O2 — CID 26975030

IUPAC[(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H22N2O2/c16-8-11-3-1-2-6-15(11)13-10-5-4-9(7-10)12(13)14-17/h9-11,13,16-17H,1-8H2/b14-12-/t9-,10+,11+,13+/m0/s1
InChIKeyNNCGJXHCTDUHAH-CQDRTBHBSA-N
MW238.33 g/mol
LogP1.46
Rot. Bonds2

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

[(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol (PubChem CID 26975030) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol
PubChem CID26975030
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol
SMILESOC[C@H]1CCCCN1[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H22N2O2/c16-8-11-3-1-2-6-15(11)13-10-5-4-9(7-10)12(13)14-17/h9-11,13,16-17H,1-8H2/b14-12-/t9-,10+,11+,13+/m0/s1
InChIKeyNNCGJXHCTDUHAH-CQDRTBHBSA-N
XLogP1.46
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.46
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'}

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

2-[(2S)-1-[(1S,2S,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]ethanol
CID 125027521
(NE)-N-[3-(2-ethylpiperidin-1-yl)-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 6084700
(NZ)-N-[(1S,3R,4S)-3-[(2R)-2-ethylpiperidin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027482
(NZ)-N-[(1S,3R,4S)-3-[4-[3-[1-[(1S,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-4-yl]propyl]piperidin-1-yl]-2-bicyclo[2.2.1]heptanylidene]hydroxylamine
CID 125027561
1-(3-hydroxyimino-2-bicyclo[2.2.1]heptanyl)piperidine-4-carboxamide
CID 4674677
trans-(1S,2S)-2-[2-(hydroxymethyl)piperidin-1-yl]cyclopentan-1-ol
CID 102734441
(1-hydroxypiperidin-2-yl)methanol
CID 91286383
[1-(1-methylpyrrolidin-3-yl)piperidin-2-yl]methanol
CID 83831558
methyl 2-[[(1S,2S,3E,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]sulfanyl]acetate
CID 98156200
(8-methyl-1-azabicyclo[3.2.1]octan-2-yl)methanol
CID 69425989
[1-(3-aminocyclopentyl)azepan-2-yl]methanol
CID 116640609
[1-(oxan-4-yl)piperidin-2-yl]methanol
CID 63937117

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol (CID 26975030) is [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol is OC[C@H]1CCCCN1[C@H]1/C(=N\O)[C@H]2CC[C@@H]1C2.
What is the InChIKey of [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol?
The InChIKey is NNCGJXHCTDUHAH-CQDRTBHBSA-N. The full InChI is InChI=1S/C13H22N2O2/c16-8-11-3-1-2-6-15(11)13-10-5-4-9(7-10)12(13)14-17/h9-11,13,16-17H,1-8H2/b14-12-/t9-,10+,11+,13+/m0/s1.
What are the key properties of [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol?
[(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(1R,2R,3Z,4S)-3-hydroxyimino-2-bicyclo[2.2.1]heptanyl]piperidin-2-yl]methanol is sourced from PubChem (CID 26975030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).