4-[(2,3,4-trimethylphenyl)methyl]piperidine

C15H23N — CID 116925401

IUPAC4-[(2,3,4-trimethylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2)c(C)c1C
InChIInChI=1S/C15H23N/c1-11-4-5-15(13(3)12(11)2)10-14-6-8-16-9-7-14/h4-5,14,16H,6-10H2,1-3H3
InChIKeyLHIMNDNICCHGFW-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.15
Rot. Bonds2

About 4-[(2,3,4-trimethylphenyl)methyl]piperidine

4-[(2,3,4-trimethylphenyl)methyl]piperidine (PubChem CID 116925401) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-[(2,3,4-trimethylphenyl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2,3,4-trimethylphenyl)methyl]piperidine
PubChem CID116925401
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-[(2,3,4-trimethylphenyl)methyl]piperidine
SMILESCc1ccc(CC2CCNCC2)c(C)c1C
InChIInChI=1S/C15H23N/c1-11-4-5-15(13(3)12(11)2)10-14-6-8-16-9-7-14/h4-5,14,16H,6-10H2,1-3H3
InChIKeyLHIMNDNICCHGFW-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(5-chloro-2-methylphenyl)methyl]piperidine
CID 84688935
2-methyl-4-(piperidin-4-ylmethyl)benzene-1,3-diol
CID 84787993
4-[(3-chloro-2,6-dimethylphenyl)methyl]piperidine
CID 84798988
1-(cyclopropylmethyl)-2,3-dimethylbenzene
CID 20690233
4-[(2,6-dimethylphenyl)methyl]piperidine
CID 103840873
4-[(5,6-dimethyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]piperidine
CID 117408323
4-[[5-(2-fluoropropan-2-yl)-2-methylphenyl]methyl]piperidine
CID 117377676
4,5-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786987
3,6-dimethyl-2-(piperidin-4-ylmethyl)phenol
CID 84786990
4-[(2,6-difluoro-3-methylphenyl)methyl]piperidine
CID 82823243
2-piperidin-4-yl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116936522
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706

Frequently Asked Questions

What is the IUPAC name of 4-[(2,3,4-trimethylphenyl)methyl]piperidine?
The IUPAC name of 4-[(2,3,4-trimethylphenyl)methyl]piperidine (CID 116925401) is 4-[(2,3,4-trimethylphenyl)methyl]piperidine.
What is the SMILES notation for 4-[(2,3,4-trimethylphenyl)methyl]piperidine?
The canonical SMILES for 4-[(2,3,4-trimethylphenyl)methyl]piperidine is Cc1ccc(CC2CCNCC2)c(C)c1C.
What is the InChIKey of 4-[(2,3,4-trimethylphenyl)methyl]piperidine?
The InChIKey is LHIMNDNICCHGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-4-5-15(13(3)12(11)2)10-14-6-8-16-9-7-14/h4-5,14,16H,6-10H2,1-3H3.
What are the key properties of 4-[(2,3,4-trimethylphenyl)methyl]piperidine?
4-[(2,3,4-trimethylphenyl)methyl]piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,3,4-trimethylphenyl)methyl]piperidine is sourced from PubChem (CID 116925401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).