tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate

C18H34N2O3 — CID 126846006

IUPACtert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate
SMILESCN(CC1(O)CCCCC1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(21)20-12-8-9-15(13-20)19(4)14-18(22)10-6-5-7-11-18/h15,22H,5-14H2,1-4H3
InChIKeyWDXBZPZLANJVJL-UHFFFAOYSA-N
MW326.48 g/mol
LogP3.01
Rot. Bonds3

About tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate

tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate (PubChem CID 126846006) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate
PubChem CID126846006
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate
SMILESCN(CC1(O)CCCCC1)C1CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O3/c1-17(2,3)23-16(21)20-12-8-9-15(13-20)19(4)14-18(22)10-6-5-7-11-18/h15,22H,5-14H2,1-4H3
InChIKeyWDXBZPZLANJVJL-UHFFFAOYSA-N
XLogP3.01
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]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

methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]carbamic acid
CID 68880080
tert-butyl 3-[carbonochloridoyl(methyl)amino]piperidine-1-carboxylate
CID 155390564
tert-butyl 3-[1-ethylsulfonylpropan-2-yl(methyl)amino]piperidine-1-carboxylate
CID 167963679
tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl (3R)-3-[[(2S)-2-aminopropanoyl]-methylamino]piperidine-1-carboxylate
CID 66564098
tert-butyl (3R)-3-(1-hydroxycyclopropyl)piperidine-1-carboxylate
CID 130757419
tert-butyl 3-[[[1-(dimethylamino)cyclohexyl]methylamino]methyl]piperidine-1-carboxylate
CID 113239053
tert-butyl 3-[(1-aminocyclohexyl)methyl]piperidine-1-carboxylate
CID 115071804
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890
tert-butyl 3-[methyl-(2-oxo-2-pyrazin-2-ylethyl)amino]piperidine-1-carboxylate
CID 71647334
tert-butyl (3S)-3-[(4-fluorophenyl)methylsulfonyl-methylamino]piperidine-1-carboxylate
CID 97166871
tert-butyl 3-[methoxy(methyl)carbamoyl]piperidine-1-carboxylate;ethane
CID 142129006

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate (CID 126846006) is tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate is CN(CC1(O)CCCCC1)C1CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate?
The InChIKey is WDXBZPZLANJVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-17(2,3)23-16(21)20-12-8-9-15(13-20)19(4)14-18(22)10-6-5-7-11-18/h15,22H,5-14H2,1-4H3.
What are the key properties of tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate?
tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(1-hydroxycyclohexyl)methyl-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 126846006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).