1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone

C19H30N2O2 — CID 111422185

IUPAC1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-14(22)21-11-9-17(10-12-21)20-13-18(23)15-5-7-16(8-6-15)19(2,3)4/h5-8,17-18,20,23H,9-13H2,1-4H3
InChIKeyWPPOVBOXQZNASE-UHFFFAOYSA-N
MW318.46 g/mol
LogP2.62
Rot. Bonds4

About 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone

1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone (PubChem CID 111422185) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
PubChem CID111422185
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Name1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(O)c2ccc(C(C)(C)C)cc2)CC1
InChIInChI=1S/C19H30N2O2/c1-14(22)21-11-9-17(10-12-21)20-13-18(23)15-5-7-16(8-6-15)19(2,3)4/h5-8,17-18,20,23H,9-13H2,1-4H3
InChIKeyWPPOVBOXQZNASE-UHFFFAOYSA-N
XLogP2.62
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-tert-butylphenyl)-2-(cyclopropylamino)ethanol
CID 62775298
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 111750704
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol
CID 115019175
1-(4-aminophenyl)-2-(cyclopropylamino)ethanol;hydrochloride
CID 163728871
1-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]propan-2-ol
CID 82313601
2-(cycloheptylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 60900441
(2-chlorophenyl)-[4-[[2-(3,5-dimethylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]methanone
CID 154755932
(1S)-2-(tert-butylamino)-1-(4-tert-butylphenyl)ethanol
CID 39352535
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]piperidine-3-carboxamide
CID 119328668
2-(4-tert-butylphenyl)sulfanyl-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119561580
[4-[[(2R)-3-(4-tert-butylphenyl)-2-methylpropyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
CID 97246065
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone (CID 111422185) is 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC(O)c2ccc(C(C)(C)C)cc2)CC1.
What is the InChIKey of 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone?
The InChIKey is WPPOVBOXQZNASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-14(22)21-11-9-17(10-12-21)20-13-18(23)15-5-7-16(8-6-15)19(2,3)4/h5-8,17-18,20,23H,9-13H2,1-4H3.
What are the key properties of 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone?
1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone has a molecular weight of 318.46 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-tert-butylphenyl)-2-hydroxyethyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 111422185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).