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

C19H26ClN3O — CID 11695950

IUPAC2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine
SMILESCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C19H26ClN3O/c1-22-11-4-3-5-18(22)10-12-24-19(16-13-21-23(2)14-16)15-6-8-17(20)9-7-15/h6-9,13-14,18-19H,3-5,10-12H2,1-2H3
InChIKeyQOMKEVJUDKFFHQ-UHFFFAOYSA-N
MW347.89 g/mol
LogP4.05
Rot. Bonds6

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

2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine (PubChem CID 11695950) has the molecular formula C19H26ClN3O and a molecular weight of 347.89 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine
PubChem CID11695950
Molecular FormulaC19H26ClN3O
Molecular Weight347.89 g/mol
Exact Mass347.18
IUPAC Name2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine
SMILESCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C19H26ClN3O/c1-22-11-4-3-5-18(22)10-12-24-19(16-13-21-23(2)14-16)15-6-8-17(20)9-7-15/h6-9,13-14,18-19H,3-5,10-12H2,1-2H3
InChIKeyQOMKEVJUDKFFHQ-UHFFFAOYSA-N
XLogP4.05
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.89
LogP ≤ 54.05
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-methylpiperidine?
The IUPAC name of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine (CID 11695950) is 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine is CN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine?
The InChIKey is QOMKEVJUDKFFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O/c1-22-11-4-3-5-18(22)10-12-24-19(16-13-21-23(2)14-16)15-6-8-17(20)9-7-15/h6-9,13-14,18-19H,3-5,10-12H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine?
2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-methylpiperidine has a molecular weight of 347.89 g/mol, XLogP of 4.05, 6 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-methylpiperidine is sourced from PubChem (CID 11695950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).