tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate

C19H30N2O3 — CID 95337386

IUPACtert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)20(4)16-10-12-21(13-11-16)14-17(22)15-8-6-5-7-9-15/h5-9,16-17,22H,10-14H2,1-4H3/t17-/m0/s1
InChIKeyNRGKNXXDTSZUQC-KRWDZBQOSA-N
MW334.46 g/mol
LogP3.05
Rot. Bonds4

About tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 95337386) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
PubChem CID95337386
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2ccccc2)CC1
InChIInChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)20(4)16-10-12-21(13-11-16)14-17(22)15-8-6-5-7-9-15/h5-9,16-17,22H,10-14H2,1-4H3/t17-/m0/s1
InChIKeyNRGKNXXDTSZUQC-KRWDZBQOSA-N
XLogP3.05
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
CID 95337387
tert-butyl N-methyl-N-[(1S)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]carbamate
CID 57362257
methyl 1-(2-hydroxy-2-phenylethyl)piperidine-4-carboxylate
CID 60632376
tert-butyl N-(1-benzoylpyrrolidin-3-yl)-N-methylcarbamate
CID 71862110
tert-butyl N-methyl-N-(1-propylpiperidin-4-yl)carbamate
CID 63714385
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
1-phenyl-2-(4-propylpiperidin-1-yl)ethanol
CID 62206996
tert-butyl N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-N-methylcarbamate
CID 91278962
benzyl (3R)-3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 58940619
benzyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolidine-1-carboxylate
CID 46835598
tert-butyl N-[(1S,3R)-3-(4-benzylpiperazin-1-yl)cyclopentyl]-N-methylcarbamate
CID 46175795
2-(4-amino-2,3,5-trimethylphenoxy)-N-[1-(2-hydroxy-2-phenylethyl)piperidin-4-yl]-N-methylacetamide
CID 87636291

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate (CID 95337386) is tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CCN(C[C@H](O)c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is NRGKNXXDTSZUQC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-19(2,3)24-18(23)20(4)16-10-12-21(13-11-16)14-17(22)15-8-6-5-7-9-15/h5-9,16-17,22H,10-14H2,1-4H3/t17-/m0/s1.
What are the key properties of tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 334.46 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2R)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 95337386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).