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

C19H30N2O3 — CID 95337387

IUPACtert-butyl N-[1-[(2S)-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-/m1/s1
InChIKeyNRGKNXXDTSZUQC-QGZVFWFLSA-N
MW334.46 g/mol
LogP3.05
Rot. Bonds4

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

tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 95337387) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate
PubChem CID95337387
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC Nametert-butyl N-[1-[(2S)-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-/m1/s1
InChIKeyNRGKNXXDTSZUQC-QGZVFWFLSA-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

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Benzyl 4-Hydroxy-1-piperidinecarboxylate
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1-(2-Hydroxy-2-phenylethyl)piperidin-3-ol
CID 4039996
2-[Methyl-(1-methylpiperidin-4-yl)amino]-1-phenylethanol;oxalic acid
CID 16196691
2-Ethylmethylamino-1-phenylpropan-1-ol
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CID 27869
(1R,2S)-(+)-2-(Dibutylamino)-1-phenyl-1-propanol
CID 9903376
Hexyl (2-hydroxy-2-phenylethyl)carbamate
CID 2840978
Pentyl (2-hydroxy-2-phenylethyl)carbamate
CID 2841235
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 13322460

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate (CID 95337387) is tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[(2S)-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-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is NRGKNXXDTSZUQC-QGZVFWFLSA-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-/m1/s1.
What are the key properties of tert-butyl N-[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[(2S)-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-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 95337387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).