1-[(3,4,5-trimethylphenyl)methyl]piperidine

C15H23N — CID 91162015

IUPAC1-[(3,4,5-trimethylphenyl)methyl]piperidine
SMILESCc1cc(CN2CCCCC2)cc(C)c1C
InChIInChI=1S/C15H23N/c1-12-9-15(10-13(2)14(12)3)11-16-7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3
InChIKeyMGXAUIXJJXRAGA-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.60
Rot. Bonds2

About 1-[(3,4,5-trimethylphenyl)methyl]piperidine

1-[(3,4,5-trimethylphenyl)methyl]piperidine (PubChem CID 91162015) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-[(3,4,5-trimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name1-[(3,4,5-trimethylphenyl)methyl]piperidine
PubChem CID91162015
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-[(3,4,5-trimethylphenyl)methyl]piperidine
SMILESCc1cc(CN2CCCCC2)cc(C)c1C
InChIInChI=1S/C15H23N/c1-12-9-15(10-13(2)14(12)3)11-16-7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3
InChIKeyMGXAUIXJJXRAGA-UHFFFAOYSA-N
XLogP3.60
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(3,4-dimethylphenyl)methyl]piperidine;ethane
CID 176955142
1-[(3,5-dimethylphenyl)methyl]pyrrolidine
CID 90278828
3-methyl-5-(pyrrolidin-1-ylmethyl)benzene-1,2-diol
CID 91439677
1-[(4-methylphenyl)methyl]azepane
CID 3951815
ethane;1-[(4-methylphenyl)methyl]piperidine
CID 143603243
2,3-dimethyl-5-(piperazin-1-ylmethyl)aniline
CID 82509242
[2-methyl-5-(piperidin-1-ylmethyl)phenyl]methanamine
CID 125454284
N-methyl-4-(piperidin-1-ylmethyl)aniline
CID 18319987
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
1-benzylazepane
CID 10954328
3-methyl-5-[[3-methyl-5-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzonitrile
CID 166874622
1-[[3-methyl-4-[[2-methyl-3-[2-methyl-3-[[2-methyl-4-(piperidin-1-ylmethyl)phenoxy]methyl]phenyl]phenyl]methoxy]phenyl]methyl]piperidine
CID 134318280

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4,5-trimethylphenyl)methyl]piperidine?
The IUPAC name of 1-[(3,4,5-trimethylphenyl)methyl]piperidine (CID 91162015) is 1-[(3,4,5-trimethylphenyl)methyl]piperidine.
What is the SMILES notation for 1-[(3,4,5-trimethylphenyl)methyl]piperidine?
The canonical SMILES for 1-[(3,4,5-trimethylphenyl)methyl]piperidine is Cc1cc(CN2CCCCC2)cc(C)c1C.
What is the InChIKey of 1-[(3,4,5-trimethylphenyl)methyl]piperidine?
The InChIKey is MGXAUIXJJXRAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-12-9-15(10-13(2)14(12)3)11-16-7-5-4-6-8-16/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1-[(3,4,5-trimethylphenyl)methyl]piperidine?
1-[(3,4,5-trimethylphenyl)methyl]piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4,5-trimethylphenyl)methyl]piperidine is sourced from PubChem (CID 91162015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).