trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol

C16H24N2O2 — CID 102731235

IUPACtrans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c19-16-4-2-1-3-15(16)17-13-5-7-14(8-6-13)18-9-11-20-12-10-18/h5-8,15-17,19H,1-4,9-12H2/t15-,16-/m1/s1
InChIKeyJLKZOMNFAHXBQS-HZPDHXFCSA-N
MW276.38 g/mol
LogP2.24
Rot. Bonds3

About trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol

trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol (PubChem CID 102731235) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
PubChem CID102731235
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nametrans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Nc1ccc(N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O2/c19-16-4-2-1-3-15(16)17-13-5-7-14(8-6-13)18-9-11-20-12-10-18/h5-8,15-17,19H,1-4,9-12H2/t15-,16-/m1/s1
InChIKeyJLKZOMNFAHXBQS-HZPDHXFCSA-N
XLogP2.24
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
CID 102731230
trans-(1R,2R)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733438
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclopentan-1-ol
CID 102733437
2-methyl-N-(4-morpholin-4-ylphenyl)thiolan-3-amine
CID 102671016
1-[(1S,2R)-2-methylcyclohexyl]-3-(4-morpholin-4-ylphenyl)thiourea
CID 8625596
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
trans-(1R,2R)-2-[(4-morpholin-4-ylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 27516821
(2R)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813194
(2S)-N-(4-morpholin-4-ylphenyl)piperidine-2-carboxamide
CID 103813196
N-(3-methylcyclohexyl)-4-morpholin-4-ylaniline
CID 43100372
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol (CID 102731235) is trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Nc1ccc(N2CCOCC2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol?
The InChIKey is JLKZOMNFAHXBQS-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-16-4-2-1-3-15(16)17-13-5-7-14(8-6-13)18-9-11-20-12-10-18/h5-8,15-17,19H,1-4,9-12H2/t15-,16-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol has a molecular weight of 276.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102731235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).