4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine

C15H23N — CID 106777878

IUPAC4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
SMILESCc1cc(C)cc(CC2CCNCC2C)c1
InChIInChI=1S/C15H23N/c1-11-6-12(2)8-14(7-11)9-15-4-5-16-10-13(15)3/h6-8,13,15-16H,4-5,9-10H2,1-3H3
InChIKeyKRBLLTMHSCBPDP-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.09
Rot. Bonds2

About 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine

4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine (PubChem CID 106777878) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine.

Molecular Properties

Compound Name4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
PubChem CID106777878
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine
SMILESCc1cc(C)cc(CC2CCNCC2C)c1
InChIInChI=1S/C15H23N/c1-11-6-12(2)8-14(7-11)9-15-4-5-16-10-13(15)3/h6-8,13,15-16H,4-5,9-10H2,1-3H3
InChIKeyKRBLLTMHSCBPDP-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-iodo-5-[[(3S,4R)-3-methylpiperidin-4-yl]methyl]pyridine
CID 134406370
2-[(3,5-dimethylphenyl)methyl]cyclobutan-1-amine
CID 81013130
(3-methylpiperidin-4-yl)methanamine;dihydrochloride
CID 135393057
2-(3,5-dimethylphenyl)-1-pyrrolidin-3-ylethanone
CID 116568207
3-[(5-methyl-3-pyridinyl)methyl]piperidin-4-ol
CID 102878520
3-methoxy-4-[(4-methylphenyl)methyl]piperidine
CID 84735196
3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-4-ol
CID 146286067
1-[(3,5-dimethylphenyl)methyl]-7-methyl-1,4-diazepane
CID 64870777
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
3-[(3-methylphenyl)methyl]pyrrolidine
CID 55252909
3-[(2-methoxy-4,6-dimethylphenyl)methyl]-4-methylpiperidine
CID 106681186
3-(2,3-dihydro-1H-inden-5-ylmethyl)-4-methylpiperidine
CID 106779364

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine?
The IUPAC name of 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine (CID 106777878) is 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine.
What is the SMILES notation for 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine?
The canonical SMILES for 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine is Cc1cc(C)cc(CC2CCNCC2C)c1.
What is the InChIKey of 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine?
The InChIKey is KRBLLTMHSCBPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-11-6-12(2)8-14(7-11)9-15-4-5-16-10-13(15)3/h6-8,13,15-16H,4-5,9-10H2,1-3H3.
What are the key properties of 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine?
4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine has a molecular weight of 217.36 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylphenyl)methyl]-3-methylpiperidine is sourced from PubChem (CID 106777878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).