3-[(2,3-dimethylphenyl)methyl]piperidine

C14H21N — CID 62548706

IUPAC3-[(2,3-dimethylphenyl)methyl]piperidine
SMILESCc1cccc(CC2CCCNC2)c1C
InChIInChI=1S/C14H21N/c1-11-5-3-7-14(12(11)2)9-13-6-4-8-15-10-13/h3,5,7,13,15H,4,6,8-10H2,1-2H3
InChIKeyKIRJKWJSOLMTRN-UHFFFAOYSA-N
MW203.33 g/mol
LogP2.85
Rot. Bonds2

About 3-[(2,3-dimethylphenyl)methyl]piperidine

3-[(2,3-dimethylphenyl)methyl]piperidine (PubChem CID 62548706) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-[(2,3-dimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2,3-dimethylphenyl)methyl]piperidine
PubChem CID62548706
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-[(2,3-dimethylphenyl)methyl]piperidine
SMILESCc1cccc(CC2CCCNC2)c1C
InChIInChI=1S/C14H21N/c1-11-5-3-7-14(12(11)2)9-13-6-4-8-15-10-13/h3,5,7,13,15H,4,6,8-10H2,1-2H3
InChIKeyKIRJKWJSOLMTRN-UHFFFAOYSA-N
XLogP2.85
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
7-methyl-3-(piperidin-3-ylmethyl)-1,2-benzoxazole
CID 84693586
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2,3-difluoro-4-methylphenyl)methyl]piperidine
CID 84790249
3-[(5-ethyl-2,3-dimethylphenyl)methyl]piperidine
CID 117335200
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
1-(2,3-dimethylphenyl)-2-piperidin-3-ylethanone
CID 116564167
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
2,3,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117997
2-methoxy-6-(piperidin-3-ylmethyl)phenol
CID 117316206
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylphenyl)methyl]piperidine?
The IUPAC name of 3-[(2,3-dimethylphenyl)methyl]piperidine (CID 62548706) is 3-[(2,3-dimethylphenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2,3-dimethylphenyl)methyl]piperidine?
The canonical SMILES for 3-[(2,3-dimethylphenyl)methyl]piperidine is Cc1cccc(CC2CCCNC2)c1C.
What is the InChIKey of 3-[(2,3-dimethylphenyl)methyl]piperidine?
The InChIKey is KIRJKWJSOLMTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-11-5-3-7-14(12(11)2)9-13-6-4-8-15-10-13/h3,5,7,13,15H,4,6,8-10H2,1-2H3.
What are the key properties of 3-[(2,3-dimethylphenyl)methyl]piperidine?
3-[(2,3-dimethylphenyl)methyl]piperidine has a molecular weight of 203.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylphenyl)methyl]piperidine is sourced from PubChem (CID 62548706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).