2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate

C16H30N2O3 — CID 99851619

IUPAC2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-21-16(20)18-9-7-13(8-10-18)17-14-5-3-4-6-15(14)19/h12-15,17,19H,3-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyVXJASTXSJSNGPU-CABCVRRESA-N
MW298.43 g/mol
LogP2.14
Rot. Bonds4

About 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate

2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate (PubChem CID 99851619) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
PubChem CID99851619
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate
SMILESCC(C)COC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2O)CC1
InChIInChI=1S/C16H30N2O3/c1-12(2)11-21-16(20)18-9-7-13(8-10-18)17-14-5-3-4-6-15(14)19/h12-15,17,19H,3-11H2,1-2H3/t14-,15+/m1/s1
InChIKeyVXJASTXSJSNGPU-CABCVRRESA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate 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-methylpropyl 4-(cyclopropylamino)piperidine-1-carboxylate
CID 69398316
2-methylpropyl 4-[[(1R,2R)-2-(hydroxymethyl)cyclopentyl]amino]piperidine-1-carboxylate
CID 97056288
2-methylpropyl 4-(propan-2-ylamino)piperidine-1-carboxylate
CID 142781179
4-[(2-hydroxycyclohexyl)amino]piperidine-1-carboxamide
CID 55064221
2-methylpropyl 4-(propanoylamino)piperidine-1-carboxylate
CID 108562132
2-methylpropyl 4-(3-methylbutanoylamino)piperidine-1-carboxylate
CID 108559419
2-methylpropyl 4-propan-2-ylpiperidine-1-carboxylate
CID 21025591
2-methylpropyl 4-[(2,2-dimethyl-6-oxopiperidin-3-yl)amino]piperidine-1-carboxylate
CID 126799155
ethyl 4-[(4-hydroxyoxolan-3-yl)amino]piperidine-1-carboxylate
CID 60899589
2-methylpropyl 1-[1-(2-methylpropoxycarbonyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 91737621
2-methylpropyl 4-[[(1S,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 99851637
2-methylpropyl 4-[[(1R,5R,6R)-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-yl]amino]piperidine-1-carboxylate
CID 129446196

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate (CID 99851619) is 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate is CC(C)COC(=O)N1CCC(N[C@@H]2CCCC[C@@H]2O)CC1.
What is the InChIKey of 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate?
The InChIKey is VXJASTXSJSNGPU-CABCVRRESA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12(2)11-21-16(20)18-9-7-13(8-10-18)17-14-5-3-4-6-15(14)19/h12-15,17,19H,3-11H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate?
2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 4-[[(1R,2S)-2-hydroxycyclohexyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 99851619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).