tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate

C18H28N2O3 — CID 57248020

IUPACtert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
SMILESCC(O)c1ccccc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H28N2O3/c1-13(21)15-7-5-6-8-16(15)19-14-9-11-20(12-10-14)17(22)23-18(2,3)4/h5-8,13-14,19,21H,9-12H2,1-4H3
InChIKeyXSBWTOKXCDUCCC-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.55
Rot. Bonds3

About tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate

tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate (PubChem CID 57248020) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
PubChem CID57248020
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate
SMILESCC(O)c1ccccc1NC1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H28N2O3/c1-13(21)15-7-5-6-8-16(15)19-14-9-11-20(12-10-14)17(22)23-18(2,3)4/h5-8,13-14,19,21H,9-12H2,1-4H3
InChIKeyXSBWTOKXCDUCCC-UHFFFAOYSA-N
XLogP3.55
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[(4-aminonaphthalen-1-yl)amino]piperidine-1-carboxylate
CID 130377904
2-fluoro-6-[[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 59006330
tert-butyl (3R,4R)-3-fluoro-4-(2-propan-2-ylanilino)piperidine-1-carboxylate
CID 167457024
tert-butyl 4-(2-amino-3-methoxycarbonylanilino)piperidine-1-carboxylate
CID 71623656
tert-butyl 4-(2-ethenyl-3-methoxyanilino)piperidine-1-carboxylate
CID 171103346
tert-butyl 4-[(2-ethyl-3-pyridinyl)amino]piperidine-1-carboxylate
CID 138472256
tert-butyl 4-[2-(4-hydroxy-2-oxopyrrolidin-1-yl)anilino]piperidine-1-carboxylate
CID 168701779
tert-butyl 3-[2-(trifluoromethyl)anilino]pyrrolidine-1-carboxylate
CID 103820804
tert-butyl 4-(3-fluoro-2-pyrrolidin-1-ylanilino)piperidine-1-carboxylate
CID 168514201
tert-butyl 4-[[(1S)-1-(2-bromophenyl)ethyl]amino]azepane-1-carboxylate
CID 113361622
tert-butyl 4-(3-fluoro-2-nitroanilino)piperidine-1-carboxylate
CID 53255496
tert-butyl 4-(4-propan-2-yloxyanilino)piperidine-1-carboxylate
CID 54491063

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate (CID 57248020) is tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate is CC(O)c1ccccc1NC1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate?
The InChIKey is XSBWTOKXCDUCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-13(21)15-7-5-6-8-16(15)19-14-9-11-20(12-10-14)17(22)23-18(2,3)4/h5-8,13-14,19,21H,9-12H2,1-4H3.
What are the key properties of tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate?
tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(1-hydroxyethyl)anilino]piperidine-1-carboxylate is sourced from PubChem (CID 57248020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).