2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine

C20H28ClN3O — CID 11552265

IUPAC2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine
SMILESCCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C20H28ClN3O/c1-3-24-12-5-4-6-19(24)11-13-25-20(17-14-22-23(2)15-17)16-7-9-18(21)10-8-16/h7-10,14-15,19-20H,3-6,11-13H2,1-2H3
InChIKeyQEDIWBOMMMNODW-UHFFFAOYSA-N
MW361.92 g/mol
LogP4.44
Rot. Bonds7

About 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine

2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine (PubChem CID 11552265) has the molecular formula C20H28ClN3O and a molecular weight of 361.92 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine
PubChem CID11552265
Molecular FormulaC20H28ClN3O
Molecular Weight361.92 g/mol
Exact Mass361.19
IUPAC Name2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine
SMILESCCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C20H28ClN3O/c1-3-24-12-5-4-6-19(24)11-13-25-20(17-14-22-23(2)15-17)16-7-9-18(21)10-8-16/h7-10,14-15,19-20H,3-6,11-13H2,1-2H3
InChIKeyQEDIWBOMMMNODW-UHFFFAOYSA-N
XLogP4.44
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.92
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine?
The IUPAC name of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine (CID 11552265) is 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine is CCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine?
The InChIKey is QEDIWBOMMMNODW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28ClN3O/c1-3-24-12-5-4-6-19(24)11-13-25-20(17-14-22-23(2)15-17)16-7-9-18(21)10-8-16/h7-10,14-15,19-20H,3-6,11-13H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine?
2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine has a molecular weight of 361.92 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-ethylpiperidine is sourced from PubChem (CID 11552265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).