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

C21H30ClN3O — CID 11581601

IUPAC2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine
SMILESCCCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C21H30ClN3O/c1-3-12-25-13-5-4-6-20(25)11-14-26-21(18-15-23-24(2)16-18)17-7-9-19(22)10-8-17/h7-10,15-16,20-21H,3-6,11-14H2,1-2H3
InChIKeyVQGDHLLGNAVIKU-UHFFFAOYSA-N
MW375.94 g/mol
LogP4.83
Rot. Bonds8

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

2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine (PubChem CID 11581601) has the molecular formula C21H30ClN3O and a molecular weight of 375.94 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine
PubChem CID11581601
Molecular FormulaC21H30ClN3O
Molecular Weight375.94 g/mol
Exact Mass375.21
IUPAC Name2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine
SMILESCCCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1
InChIInChI=1S/C21H30ClN3O/c1-3-12-25-13-5-4-6-20(25)11-14-26-21(18-15-23-24(2)16-18)17-7-9-19(22)10-8-17/h7-10,15-16,20-21H,3-6,11-14H2,1-2H3
InChIKeyVQGDHLLGNAVIKU-UHFFFAOYSA-N
XLogP4.83
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.94
LogP ≤ 54.83
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-propylpiperidine?
The IUPAC name of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine (CID 11581601) is 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine?
The canonical SMILES for 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine is CCCN1CCCCC1CCOC(c1ccc(Cl)cc1)c1cnn(C)c1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine?
The InChIKey is VQGDHLLGNAVIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30ClN3O/c1-3-12-25-13-5-4-6-20(25)11-14-26-21(18-15-23-24(2)16-18)17-7-9-19(22)10-8-17/h7-10,15-16,20-21H,3-6,11-14H2,1-2H3.
What are the key properties of 2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine?
2-[2-[(4-chlorophenyl)-(1-methylpyrazol-4-yl)methoxy]ethyl]-1-propylpiperidine has a molecular weight of 375.94 g/mol, XLogP of 4.83, 8 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-propylpiperidine is sourced from PubChem (CID 11581601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).