tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate

C18H34N2O3 — CID 143856914

IUPACtert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC[C@H]2CCCC[C@@H]2CO)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-8-16(9-11-20)19-12-14-6-4-5-7-15(14)13-21/h14-16,19,21H,4-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyHFNGIVTWKUZNHF-HUUCEWRRSA-N
MW326.48 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate

tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate (PubChem CID 143856914) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate
PubChem CID143856914
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(NC[C@H]2CCCC[C@@H]2CO)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-8-16(9-11-20)19-12-14-6-4-5-7-15(14)13-21/h14-16,19,21H,4-13H2,1-3H3/t14-,15-/m1/s1
InChIKeyHFNGIVTWKUZNHF-HUUCEWRRSA-N
XLogP2.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.48
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-4-cyclohexyl-2-hydroxybutyl]amino}-1-cyclohexyl-3-hydroxybutan-2-yl]carbamate
CID 455710
tert-butyl N-[(3R)-1-cyclohexyl-4-[[(2R)-4-cyclohexyl-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]amino]-3-hydroxybutan-2-yl]carbamate
CID 44294557
Tert-butyl 3-(1-amino-2-hydroxyethyl)piperidine-1-carboxylate
CID 83899855
cyclohexylmethyl N-piperidin-4-yl-N-propylcarbamate
CID 18372793
t-butyl [(1S)-1-(cyclohexylmethyl)-2-hydroxy-3-piperidinopropyl]carbamate
CID 56982890
tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 57855304
tert-butyl (3R,5S)-3-(1-hydroxycyclohexyl)-5-[(2-methylpropyl)amino]piperidine-1-carboxylate
CID 59625268
tert-butyl 4-cyclohexyl-4-[[[(2S)-1-hydroxypropan-2-yl]amino]methyl]piperidine-1-carboxylate
CID 60099031
Tert-butyl 4-[[(trans)-2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913176
Tert-butyl 4-[[2-(hydroxymethyl)cyclohexyl]amino]piperidine-1-carboxylate
CID 68913177
tert-butyl N-[(1S,3R)-3-[hydroxy-(4-hydroxypiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 70868075
[Iminobis[-1(Cyclohexyl-methyl)-2-hydroxy-3,1-propanediyl]]-biscarbamic acid, bis(1,1dimethylethyl) ester
CID 74972732

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate (CID 143856914) is tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(NC[C@H]2CCCC[C@@H]2CO)CC1.
What is the InChIKey of tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate?
The InChIKey is HFNGIVTWKUZNHF-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-8-16(9-11-20)19-12-14-6-4-5-7-15(14)13-21/h14-16,19,21H,4-13H2,1-3H3/t14-,15-/m1/s1.
What are the key properties of tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate has a molecular weight of 326.48 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(1S,2S)-2-(hydroxymethyl)cyclohexyl]methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 143856914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).