tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate

C18H29N3O3 — CID 76792948

IUPACtert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCN1CCN(CC(NC(=O)OC(C)(C)C)c2ccc(O)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)24-17(23)19-16(14-5-7-15(22)8-6-14)13-21-11-9-20(4)10-12-21/h5-8,16,22H,9-13H2,1-4H3,(H,19,23)
InChIKeySSBOHVNRIYJPPP-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.21
Rot. Bonds4

About tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate

tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate (PubChem CID 76792948) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
PubChem CID76792948
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nametert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
SMILESCN1CCN(CC(NC(=O)OC(C)(C)C)c2ccc(O)cc2)CC1
InChIInChI=1S/C18H29N3O3/c1-18(2,3)24-17(23)19-16(14-5-7-15(22)8-6-14)13-21-11-9-20(4)10-12-21/h5-8,16,22H,9-13H2,1-4H3,(H,19,23)
InChIKeySSBOHVNRIYJPPP-UHFFFAOYSA-N
XLogP2.21
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate
CID 95617125
tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(4-propan-2-yloxyphenyl)ethyl]carbamate
CID 125497734
ethyl (3S)-3-(4-hydroxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 86587223
tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethyl]carbamate
CID 125498304
tert-butyl N-[(1S)-2-(azetidin-1-yl)-1-(2,4-difluorophenyl)ethyl]carbamate
CID 125497588
ditert-butyl 2-[amino-(4-hydroxyphenyl)methyl]propanedioate
CID 174570665
N-[(1R)-2-(4-methylpiperazin-1-yl)-1-phenylethyl]pyrrolidine-1-carboxamide
CID 95267786
(2R)-2-ethoxy-N-[(1S)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]propanamide
CID 95151917
tert-butyl N-[(2S)-2-(4-hydroxyphenyl)propyl]carbamate
CID 129383215
tert-butyl N-[(1R)-2-hydroxy-1-(4-methylsulfanylphenyl)ethyl]carbamate
CID 142503477
3-(4-fluorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734583
tert-butyl N-[1,2-bis(4-morpholin-4-ylphenyl)ethyl]carbamate
CID 68753649

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate (CID 76792948) is tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate is CN1CCN(CC(NC(=O)OC(C)(C)C)c2ccc(O)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
The InChIKey is SSBOHVNRIYJPPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-18(2,3)24-17(23)19-16(14-5-7-15(22)8-6-14)13-21-11-9-20(4)10-12-21/h5-8,16,22H,9-13H2,1-4H3,(H,19,23).
What are the key properties of tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate?
tert-butyl N-[1-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate has a molecular weight of 335.45 g/mol, XLogP of 2.21, 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-(4-hydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]carbamate is sourced from PubChem (CID 76792948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).