tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate

C18H34N2O3 — CID 103730273

IUPACtert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2CCCCC2O)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-8-14(9-11-20)12-19-13-15-6-4-5-7-16(15)21/h14-16,19,21H,4-13H2,1-3H3
InChIKeyOGWJRHZQIKWTMA-UHFFFAOYSA-N
MW326.48 g/mol
LogP2.77
Rot. Bonds4

About tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate (PubChem CID 103730273) has the molecular formula C18H34N2O3 and a molecular weight of 326.48 g/mol. Its IUPAC name is tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate
PubChem CID103730273
Molecular FormulaC18H34N2O3
Molecular Weight326.48 g/mol
Exact Mass326.26
IUPAC Nametert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CNCC2CCCCC2O)CC1
InChIInChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-8-14(9-11-20)12-19-13-15-6-4-5-7-16(15)21/h14-16,19,21H,4-13H2,1-3H3
InChIKeyOGWJRHZQIKWTMA-UHFFFAOYSA-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

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Related Compounds

tert-butyl N-((2-hydroxycyclohexyl)methyl)carbamate
CID 54595030
Tert-butyl 4-(hydroxy(piperidin-4-yl)methyl)piperidine-1-carboxylate
CID 155893615
1-[1-(butylcarbamoyloxy)ethyl-(2-cyclohexyl-2-hydroxyethyl)amino]ethyl N-butylcarbamate
CID 20074000
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 (((1R,2R)-2-hydroxycyclohexyl)methyl)carbamate
CID 59127238
(1,2,2,6,6-pentamethylpiperidin-4-yl) N-(6-hydroxyhexyl)carbamate
CID 59745296
Tert-butyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
CID 59868405
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
2-Methylpropyl 4-[1-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]piperidine-1-carboxylate
CID 69107906
tert-butyl N-[(1S,3R)-3-[hydroxy-(4-hydroxypiperidin-1-yl)methyl]cyclohexyl]carbamate
CID 70868075

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate (CID 103730273) is tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CNCC2CCCCC2O)CC1.
What is the InChIKey of tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate?
The InChIKey is OGWJRHZQIKWTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3/c1-18(2,3)23-17(22)20-10-8-14(9-11-20)12-19-13-15-6-4-5-7-16(15)21/h14-16,19,21H,4-13H2,1-3H3.
What are the key properties of tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[(2-hydroxycyclohexyl)methylamino]methyl]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-[[(2-hydroxycyclohexyl)methylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 103730273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).