1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine

C19H30ClNO3 — CID 15851918

IUPAC1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(C(Cl)CON2C(C)(C)CC(OC)CC2(C)C)cc1
InChIInChI=1S/C19H30ClNO3/c1-18(2)11-16(23-6)12-19(3,4)21(18)24-13-17(20)14-7-9-15(22-5)10-8-14/h7-10,16-17H,11-13H2,1-6H3
InChIKeyAQPFMTLXVNGICI-UHFFFAOYSA-N
MW355.91 g/mol
LogP4.57
Rot. Bonds6

About 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine

1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine (PubChem CID 15851918) has the molecular formula C19H30ClNO3 and a molecular weight of 355.91 g/mol. Its IUPAC name is 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine.

Molecular Properties

Compound Name1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine
PubChem CID15851918
Molecular FormulaC19H30ClNO3
Molecular Weight355.91 g/mol
Exact Mass355.19
IUPAC Name1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine
SMILESCOc1ccc(C(Cl)CON2C(C)(C)CC(OC)CC2(C)C)cc1
InChIInChI=1S/C19H30ClNO3/c1-18(2)11-16(23-6)12-19(3,4)21(18)24-13-17(20)14-7-9-15(22-5)10-8-14/h7-10,16-17H,11-13H2,1-6H3
InChIKeyAQPFMTLXVNGICI-UHFFFAOYSA-N
XLogP4.57
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.91
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
1-[2-chloro-2-(4-methoxyphenyl)ethyl]-4-methylpiperazine
CID 82214808
2-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-1-methylcyclopropan-1-ol
CID 102346036
1-(1-chloro-3,3-dimethylbutyl)-4-methoxybenzene
CID 63429185
1-[chloro(cyclopropyl)methyl]-4-methoxybenzene
CID 61081177
1-(4-methoxyphenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 54944641
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
1-(2-chloroethoxy)-4-methoxybenzene
CID 10081150
chloro-(4-methoxyphenyl)methanol
CID 130923369
N-[(2,2-dimethylcyclopropyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 113348515
3-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]cyclobutan-1-amine
CID 106821544

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine?
The IUPAC name of 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine (CID 15851918) is 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine.
What is the SMILES notation for 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine?
The canonical SMILES for 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine is COc1ccc(C(Cl)CON2C(C)(C)CC(OC)CC2(C)C)cc1.
What is the InChIKey of 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine?
The InChIKey is AQPFMTLXVNGICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30ClNO3/c1-18(2)11-16(23-6)12-19(3,4)21(18)24-13-17(20)14-7-9-15(22-5)10-8-14/h7-10,16-17H,11-13H2,1-6H3.
What are the key properties of 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine?
1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine has a molecular weight of 355.91 g/mol, XLogP of 4.57, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-2-(4-methoxyphenyl)ethoxy]-4-methoxy-2,2,6,6-tetramethylpiperidine is sourced from PubChem (CID 15851918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).