1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine

C19H31NO2 — CID 170588217

IUPAC1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine
SMILESCOc1ccc(CN2CCCC(C)(C)C2)c(OC)c1C(C)C
InChIInChI=1S/C19H31NO2/c1-14(2)17-16(21-5)9-8-15(18(17)22-6)12-20-11-7-10-19(3,4)13-20/h8-9,14H,7,10-13H2,1-6H3
InChIKeyWHQOHMUEOQOLQK-UHFFFAOYSA-N
MW305.46 g/mol
LogP4.45
Rot. Bonds5

About 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine

1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine (PubChem CID 170588217) has the molecular formula C19H31NO2 and a molecular weight of 305.46 g/mol. Its IUPAC name is 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine.

Molecular Properties

Compound Name1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine
PubChem CID170588217
Molecular FormulaC19H31NO2
Molecular Weight305.46 g/mol
Exact Mass305.24
IUPAC Name1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine
SMILESCOc1ccc(CN2CCCC(C)(C)C2)c(OC)c1C(C)C
InChIInChI=1S/C19H31NO2/c1-14(2)17-16(21-5)9-8-15(18(17)22-6)12-20-11-7-10-19(3,4)13-20/h8-9,14H,7,10-13H2,1-6H3
InChIKeyWHQOHMUEOQOLQK-UHFFFAOYSA-N
XLogP4.45
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine?
The IUPAC name of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine (CID 170588217) is 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine.
What is the SMILES notation for 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine?
The canonical SMILES for 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine is COc1ccc(CN2CCCC(C)(C)C2)c(OC)c1C(C)C.
What is the InChIKey of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine?
The InChIKey is WHQOHMUEOQOLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO2/c1-14(2)17-16(21-5)9-8-15(18(17)22-6)12-20-11-7-10-19(3,4)13-20/h8-9,14H,7,10-13H2,1-6H3.
What are the key properties of 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine?
1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine has a molecular weight of 305.46 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethoxy-3-propan-2-ylphenyl)methyl]-3,3-dimethylpiperidine is sourced from PubChem (CID 170588217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).