4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine

C13H17F2N — CID 155020969

IUPAC4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2N/c1-16-4-2-10(3-5-16)6-11-7-12(14)9-13(15)8-11/h7-10H,2-6H2,1H3
InChIKeyRTKAMNYXDGGVLU-UHFFFAOYSA-N
MW225.28 g/mol
LogP2.85
Rot. Bonds2

About 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine

4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine (PubChem CID 155020969) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
PubChem CID155020969
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
SMILESCN1CCC(Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C13H17F2N/c1-16-4-2-10(3-5-16)6-11-7-12(14)9-13(15)8-11/h7-10H,2-6H2,1H3
InChIKeyRTKAMNYXDGGVLU-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
CID 163281895
1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
4-benzyl-1-methylpiperidine;ethane
CID 142009767
[3-[(3,5-difluorophenyl)methyl]pyrrolidin-1-yl]-(4-hydroxy-1-methylpiperidin-4-yl)methanone;formic acid
CID 171709578
N-methyl-N-[[4-[(1-methylpiperidin-4-yl)methyl]phenyl]methyl]ethanamine
CID 155200692
1-methyl-4-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 121407190
(3S)-3-[(4-fluorophenyl)methyl]-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 141046159
N-[(3,5-difluorophenyl)methyl]-1,3-dimethylpiperidin-4-amine
CID 113260030
N-[1-(3,5-difluorophenyl)-1,2,4-triazol-3-yl]-2-methyl-5-[(1-methylpiperidin-4-yl)methyl]pyridin-3-amine
CID 134589684
4-benzyl-1-methylazepane
CID 123177845
N-[(3-bromo-5-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515369

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine (CID 155020969) is 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine is CN1CCC(Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine?
The InChIKey is RTKAMNYXDGGVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-16-4-2-10(3-5-16)6-11-7-12(14)9-13(15)8-11/h7-10H,2-6H2,1H3.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine?
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine has a molecular weight of 225.28 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine is sourced from PubChem (CID 155020969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).