tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate

C23H31N3O3 — CID 118954527

IUPACtert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate
SMILESCN(c1ccc(O)cc1)c1cccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C23H31N3O3/c1-23(2,3)29-22(28)24-17-12-14-26(15-13-17)20-7-5-6-19(16-20)25(4)18-8-10-21(27)11-9-18/h5-11,16-17,27H,12-15H2,1-4H3,(H,24,28)
InChIKeyKHFSQEKUNCFWGM-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.65
Rot. Bonds4

About tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate (PubChem CID 118954527) has the molecular formula C23H31N3O3 and a molecular weight of 397.52 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate
PubChem CID118954527
Molecular FormulaC23H31N3O3
Molecular Weight397.52 g/mol
Exact Mass397.24
IUPAC Nametert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate
SMILESCN(c1ccc(O)cc1)c1cccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c1
InChIInChI=1S/C23H31N3O3/c1-23(2,3)29-22(28)24-17-12-14-26(15-13-17)20-7-5-6-19(16-20)25(4)18-8-10-21(27)11-9-18/h5-11,16-17,27H,12-15H2,1-4H3,(H,24,28)
InChIKeyKHFSQEKUNCFWGM-UHFFFAOYSA-N
XLogP4.65
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(4-hydroxyphenyl)pyrrolidin-3-yl]carbamate
CID 142553553
tert-butyl N-[1-(2-chloro-4-pyridinyl)piperidin-4-yl]carbamate
CID 86656708
tert-butyl N-[4-[3-[4-(trifluoromethyl)piperidin-1-yl]anilino]cyclohexyl]carbamate
CID 171775749
tert-butyl N-[(3R)-1-(3-methylphenyl)pyrrolidin-3-yl]carbamate;sulfur dioxide
CID 165075706
tert-butyl N-[1-(2-pyrrolidin-1-ylphenyl)piperidin-4-yl]carbamate
CID 168513935
tert-butyl N-[1-[2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]carbamate
CID 67342449
tert-butyl N-[1-(3-piperazin-1-ylphenyl)sulfanylpiperidin-4-yl]carbamate;ethane
CID 170639251
tert-butyl N-[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]carbamate
CID 167214287
tert-butyl N-[(3S)-1-pyridin-3-ylpyrrolidin-3-yl]carbamate
CID 131747678
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
tert-butyl N-[1-(4-amino-2-methylphenyl)piperidin-4-yl]carbamate
CID 142621531
tert-butyl N-[1-(2-chloro-4-pyridinyl)pyrrolidin-3-yl]carbamate
CID 121204853

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate (CID 118954527) is tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate is CN(c1ccc(O)cc1)c1cccc(N2CCC(NC(=O)OC(C)(C)C)CC2)c1.
What is the InChIKey of tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate?
The InChIKey is KHFSQEKUNCFWGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O3/c1-23(2,3)29-22(28)24-17-12-14-26(15-13-17)20-7-5-6-19(16-20)25(4)18-8-10-21(27)11-9-18/h5-11,16-17,27H,12-15H2,1-4H3,(H,24,28).
What are the key properties of tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate has a molecular weight of 397.52 g/mol, XLogP of 4.65, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(4-hydroxy-N-methylanilino)phenyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 118954527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).