1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine

C16H25NO — CID 2846019

IUPAC1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
SMILESCOc1cc(C)c(CN2CCC(C)CC2)cc1C
InChIInChI=1S/C16H25NO/c1-12-5-7-17(8-6-12)11-15-9-14(3)16(18-4)10-13(15)2/h9-10,12H,5-8,11H2,1-4H3
InChIKeyVVANCGUCQPJIEQ-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.54
Rot. Bonds3

About 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine

1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine (PubChem CID 2846019) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
PubChem CID2846019
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine
SMILESCOc1cc(C)c(CN2CCC(C)CC2)cc1C
InChIInChI=1S/C16H25NO/c1-12-5-7-17(8-6-12)11-15-9-14(3)16(18-4)10-13(15)2/h9-10,12H,5-8,11H2,1-4H3
InChIKeyVVANCGUCQPJIEQ-UHFFFAOYSA-N
XLogP3.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-dimethoxy-2-[(4-methylpiperidin-1-yl)methyl]aniline
CID 82183629
(2S)-1-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-methylpiperidine
CID 30982048
(3S)-1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-amine
CID 115302519
1-(furan-2-ylmethyl)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]piperazine
CID 23958927
1-[(2-methoxy-3-methylphenyl)methyl]-4-methylpiperidine
CID 142233666
[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 62371929
[4-[1-[(4-methoxy-2,5-dimethylphenyl)methyl]piperidin-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone
CID 24791134
4-methoxy-3-[(4-methylpiperidin-1-yl)methyl]benzoic acid
CID 62019516
1-[(4,5-dimethoxy-2-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781623
7-[(4-methoxy-2,5-dimethylphenyl)methyl]-3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine
CID 29208717
[2-methoxy-5-[(4-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 65341079
(1R,5S)-9-[(4-methoxy-2,5-dimethylphenyl)methyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 162629099

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine?
The IUPAC name of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine (CID 2846019) is 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine.
What is the SMILES notation for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine?
The canonical SMILES for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine is COc1cc(C)c(CN2CCC(C)CC2)cc1C.
What is the InChIKey of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine?
The InChIKey is VVANCGUCQPJIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-5-7-17(8-6-12)11-15-9-14(3)16(18-4)10-13(15)2/h9-10,12H,5-8,11H2,1-4H3.
What are the key properties of 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine?
1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine has a molecular weight of 247.38 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-2,5-dimethylphenyl)methyl]-4-methylpiperidine is sourced from PubChem (CID 2846019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).