1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine

C23H33N3O — CID 154821707

IUPAC1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine
SMILESCc1cc(C)c(-c2nccn2C2CCOCC2)cc1CN1CCC(C)CC1
InChIInChI=1S/C23H33N3O/c1-17-4-9-25(10-5-17)16-20-15-22(19(3)14-18(20)2)23-24-8-11-26(23)21-6-12-27-13-7-21/h8,11,14-15,17,21H,4-7,9-10,12-13,16H2,1-3H3
InChIKeyDLWACKKDKOCUNQ-UHFFFAOYSA-N
MW367.54 g/mol
LogP4.75
Rot. Bonds4

About 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine

1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine (PubChem CID 154821707) has the molecular formula C23H33N3O and a molecular weight of 367.54 g/mol. Its IUPAC name is 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine
PubChem CID154821707
Molecular FormulaC23H33N3O
Molecular Weight367.54 g/mol
Exact Mass367.26
IUPAC Name1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine
SMILESCc1cc(C)c(-c2nccn2C2CCOCC2)cc1CN1CCC(C)CC1
InChIInChI=1S/C23H33N3O/c1-17-4-9-25(10-5-17)16-20-15-22(19(3)14-18(20)2)23-24-8-11-26(23)21-6-12-27-13-7-21/h8,11,14-15,17,21H,4-7,9-10,12-13,16H2,1-3H3
InChIKeyDLWACKKDKOCUNQ-UHFFFAOYSA-N
XLogP4.75
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.54
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine?
The IUPAC name of 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine (CID 154821707) is 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine?
The canonical SMILES for 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine is Cc1cc(C)c(-c2nccn2C2CCOCC2)cc1CN1CCC(C)CC1.
What is the InChIKey of 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine?
The InChIKey is DLWACKKDKOCUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O/c1-17-4-9-25(10-5-17)16-20-15-22(19(3)14-18(20)2)23-24-8-11-26(23)21-6-12-27-13-7-21/h8,11,14-15,17,21H,4-7,9-10,12-13,16H2,1-3H3.
What are the key properties of 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine?
1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine has a molecular weight of 367.54 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-dimethyl-5-[1-(oxan-4-yl)imidazol-2-yl]phenyl]methyl]-4-methylpiperidine is sourced from PubChem (CID 154821707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).