ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate

C17H26N2O3 — CID 111476618

IUPACethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O3/c1-3-22-17(21)18-15-5-4-10-19(11-15)12-16(20)14-8-6-13(2)7-9-14/h6-9,15-16,20H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyFKGAFTIKOJGMSP-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.24
Rot. Bonds5

About ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate

ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate (PubChem CID 111476618) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
PubChem CID111476618
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate
SMILESCCOC(=O)NC1CCCN(CC(O)c2ccc(C)cc2)C1
InChIInChI=1S/C17H26N2O3/c1-3-22-17(21)18-15-5-4-10-19(11-15)12-16(20)14-8-6-13(2)7-9-14/h6-9,15-16,20H,3-5,10-12H2,1-2H3,(H,18,21)
InChIKeyFKGAFTIKOJGMSP-UHFFFAOYSA-N
XLogP2.24
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 110892585
tert-butyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]pyrrolidin-3-yl]carbamate
CID 111487928
ethyl N-[1-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 111564968
N-[1-[2-(4-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-2-methylpropanamide
CID 110921581
N-[1-[2-(3,4-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]propanamide
CID 110911083
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(4-methylphenyl)ethanol
CID 63150644
ethyl N-[1-[1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl]piperidin-3-yl]carbamate
CID 86993293
ethyl N-[1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidin-3-yl]carbamate
CID 78900590
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-4-yl]acetamide
CID 129489844
ethyl 2-[1-[(2R)-2-(4-cyanophenyl)-2-hydroxyethyl]piperidin-3-yl]acetate
CID 66955120
2-(aziridin-1-yl)-1-(4-methylphenyl)ethanol
CID 82125221
2-(4-ethyl-1,4-diazepan-1-yl)-1-(4-methylphenyl)ethanol
CID 111476786

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate (CID 111476618) is ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate is CCOC(=O)NC1CCCN(CC(O)c2ccc(C)cc2)C1.
What is the InChIKey of ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate?
The InChIKey is FKGAFTIKOJGMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-3-22-17(21)18-15-5-4-10-19(11-15)12-16(20)14-8-6-13(2)7-9-14/h6-9,15-16,20H,3-5,10-12H2,1-2H3,(H,18,21).
What are the key properties of ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate?
ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate has a molecular weight of 306.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[2-hydroxy-2-(4-methylphenyl)ethyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 111476618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).