tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate

C20H32N2O3 — CID 111496308

IUPACtert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate
SMILESCc1ccc(C(O)CN2CCC(CNC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H32N2O3/c1-15-5-7-17(8-6-15)18(23)14-22-11-9-16(10-12-22)13-21-19(24)25-20(2,3)4/h5-8,16,18,23H,9-14H2,1-4H3,(H,21,24)
InChIKeyWYZNCDQOKUGOKJ-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.27
Rot. Bonds5

About tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate (PubChem CID 111496308) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate
PubChem CID111496308
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Nametert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate
SMILESCc1ccc(C(O)CN2CCC(CNC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C20H32N2O3/c1-15-5-7-17(8-6-15)18(23)14-22-11-9-16(10-12-22)13-21-19(24)25-20(2,3)4/h5-8,16,18,23H,9-14H2,1-4H3,(H,21,24)
InChIKeyWYZNCDQOKUGOKJ-UHFFFAOYSA-N
XLogP3.27
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
methyl 3-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]propanoate
CID 111974949
tert-butyl N-[1-[2-(4-chlorophenyl)-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 56771223
tert-butyl N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]carbamate
CID 141128397
tert-butyl N-[1-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]piperidin-4-yl]carbamate
CID 55989113
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
CID 124606498
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl cyclopropanecarboxylate
CID 67232140
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
tert-butyl N-[(1-propan-2-ylpiperidin-4-yl)methyl]carbamate
CID 20801241
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate (CID 111496308) is tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate is Cc1ccc(C(O)CN2CCC(CNC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate?
The InChIKey is WYZNCDQOKUGOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-15-5-7-17(8-6-15)18(23)14-22-11-9-16(10-12-22)13-21-19(24)25-20(2,3)4/h5-8,16,18,23H,9-14H2,1-4H3,(H,21,24).
What are the key properties of tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 111496308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).