1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

C16H19Cl2N3O — CID 11290739

IUPAC1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESClc1cccc(CN2CCC(OCc3cnc[nH]3)CC2)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-15-3-1-2-12(16(15)18)9-21-6-4-14(5-7-21)22-10-13-8-19-11-20-13/h1-3,8,11,14H,4-7,9-10H2,(H,19,20)
InChIKeyXROZQBVVXIBHJD-UHFFFAOYSA-N
MW340.25 g/mol
LogP3.90
Rot. Bonds5

About 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine

1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (PubChem CID 11290739) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.

Molecular Properties

Compound Name1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
PubChem CID11290739
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC Name1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine
SMILESClc1cccc(CN2CCC(OCc3cnc[nH]3)CC2)c1Cl
InChIInChI=1S/C16H19Cl2N3O/c17-15-3-1-2-12(16(15)18)9-21-6-4-14(5-7-21)22-10-13-8-19-11-20-13/h1-3,8,11,14H,4-7,9-10H2,(H,19,20)
InChIKeyXROZQBVVXIBHJD-UHFFFAOYSA-N
XLogP3.90
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The IUPAC name of 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine (CID 11290739) is 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine.
What is the SMILES notation for 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The canonical SMILES for 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is Clc1cccc(CN2CCC(OCc3cnc[nH]3)CC2)c1Cl.
What is the InChIKey of 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
The InChIKey is XROZQBVVXIBHJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c17-15-3-1-2-12(16(15)18)9-21-6-4-14(5-7-21)22-10-13-8-19-11-20-13/h1-3,8,11,14H,4-7,9-10H2,(H,19,20).
What are the key properties of 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine?
1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine has a molecular weight of 340.25 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,3-dichlorophenyl)methyl]-4-(1H-imidazol-5-ylmethoxy)piperidine is sourced from PubChem (CID 11290739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).