[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate

C15H21NO3 — CID 15087947

IUPAC[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H21NO3/c1-16(2)12-9-7-11(8-10-12)15(18)19-14-6-4-3-5-13(14)17/h7-10,13-14,17H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKeyHHCMJKIWFLSKRW-ZIAGYGMSSA-N
MW263.34 g/mol
LogP2.21
Rot. Bonds3

About [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate

[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate (PubChem CID 15087947) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate
PubChem CID15087947
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate
SMILESCN(C)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2O)cc1
InChIInChI=1S/C15H21NO3/c1-16(2)12-9-7-11(8-10-12)15(18)19-14-6-4-3-5-13(14)17/h7-10,13-14,17H,3-6H2,1-2H3/t13-,14-/m1/s1
InChIKeyHHCMJKIWFLSKRW-ZIAGYGMSSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate 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

[(1S,2R)-2-hydroxycycloheptyl] benzoate
CID 56958407
4-(dimethylamino)-N-[(2S)-2-hydroxycyclohexyl]benzamide
CID 134880490
4-(dimethylamino)-N-[(1R,2S)-2-hydroxycycloheptyl]benzamide
CID 101152324
[2-(dicyclohexylamino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2387598
[(1R,2S)-2-[(dimethylamino)methyl]cyclohexyl] benzoate
CID 44722542
2-[4-(dimethylamino)benzoyl]oxyethyl 4-(dimethylamino)benzoate
CID 12811915
(2-methylcyclohexyl) 6-chloropyridine-3-carboxylate
CID 60715692
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
cis-(1R,2R)-2-[4-(dimethylamino)phenyl]cyclohexan-1-ol
CID 26595121
N'-(cyclopentylmethyl)-4-(dimethylamino)benzohydrazide
CID 117094795
2-[3-(dimethylamino)phenoxy]cyclopentan-1-ol
CID 61229092
[2-[cyclohexyl-[(3S)-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 51482736

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate?
The IUPAC name of [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate (CID 15087947) is [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate is CN(C)c1ccc(C(=O)O[C@@H]2CCCC[C@H]2O)cc1.
What is the InChIKey of [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate?
The InChIKey is HHCMJKIWFLSKRW-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(2)12-9-7-11(8-10-12)15(18)19-14-6-4-3-5-13(14)17/h7-10,13-14,17H,3-6H2,1-2H3/t13-,14-/m1/s1.
What are the key properties of [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate?
[(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate has a molecular weight of 263.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-hydroxycyclohexyl] 4-(dimethylamino)benzoate is sourced from PubChem (CID 15087947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).