trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol

C17H26N2O — CID 102731230

IUPACtrans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c20-17-7-3-2-6-16(17)18-14-8-10-15(11-9-14)19-12-4-1-5-13-19/h8-11,16-18,20H,1-7,12-13H2/t16-,17-/m0/s1
InChIKeyKMQBXRKFKUBCFW-IRXDYDNUSA-N
MW274.41 g/mol
LogP3.39
Rot. Bonds3

About trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol

trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol (PubChem CID 102731230) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
PubChem CID102731230
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Nametrans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol
SMILESO[C@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H26N2O/c20-17-7-3-2-6-16(17)18-14-8-10-15(11-9-14)19-12-4-1-5-13-19/h8-11,16-18,20H,1-7,12-13H2/t16-,17-/m0/s1
InChIKeyKMQBXRKFKUBCFW-IRXDYDNUSA-N
XLogP3.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 63180098
trans-(1R,2R)-2-(4-morpholin-4-ylanilino)cyclohexan-1-ol
CID 102731235
2-[(4-piperidin-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612219
N-(4-pyrrolidin-1-ylphenyl)-1-azabicyclo[2.2.2]octan-3-amine
CID 43732240
(1R)-2-(4-methylanilino)cyclohexan-1-ol
CID 134547011
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
N-(4-piperidin-1-ylphenyl)thian-4-amine
CID 43715688
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol (CID 102731230) is trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol is O[C@H]1CCCC[C@@H]1Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol?
The InChIKey is KMQBXRKFKUBCFW-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H26N2O/c20-17-7-3-2-6-16(17)18-14-8-10-15(11-9-14)19-12-4-1-5-13-19/h8-11,16-18,20H,1-7,12-13H2/t16-,17-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol?
trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-piperidin-1-ylanilino)cyclohexan-1-ol is sourced from PubChem (CID 102731230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).