tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate

C21H40N2O3 — CID 23388696

IUPACtert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(CO)NCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H40N2O3/c1-19(2,3)26-18(25)23-13-11-21(12-14-23,15-22-20(4,5)16-24)17-9-7-6-8-10-17/h17,22,24H,6-16H2,1-5H3
InChIKeyXSZXOVCVPRITNN-UHFFFAOYSA-N
MW368.56 g/mol
LogP3.94
Rot. Bonds5

About tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate

tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate (PubChem CID 23388696) has the molecular formula C21H40N2O3 and a molecular weight of 368.56 g/mol. Its IUPAC name is tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate
PubChem CID23388696
Molecular FormulaC21H40N2O3
Molecular Weight368.56 g/mol
Exact Mass368.30
IUPAC Nametert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(CO)NCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C21H40N2O3/c1-19(2,3)26-18(25)23-13-11-21(12-14-23,15-22-20(4,5)16-24)17-9-7-6-8-10-17/h17,22,24H,6-16H2,1-5H3
InChIKeyXSZXOVCVPRITNN-UHFFFAOYSA-N
XLogP3.94
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate (CID 23388696) is tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate is CC(C)(CO)NCC1(C2CCCCC2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is XSZXOVCVPRITNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N2O3/c1-19(2,3)26-18(25)23-13-11-21(12-14-23,15-22-20(4,5)16-24)17-9-7-6-8-10-17/h17,22,24H,6-16H2,1-5H3.
What are the key properties of tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 368.56 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclohexyl-4-[[(1-hydroxy-2-methylpropan-2-yl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 23388696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).