ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine

C15H24FN — CID 163281895

IUPACethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
SMILESCC.CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C13H18FN.C2H6/c1-15-7-5-11(6-8-15)9-12-3-2-4-13(14)10-12;1-2/h2-4,10-11H,5-9H2,1H3;1-2H3
InChIKeyIELTUHMXGUUETE-UHFFFAOYSA-N
MW237.36 g/mol
LogP3.74
Rot. Bonds2

About ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine

ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine (PubChem CID 163281895) has the molecular formula C15H24FN and a molecular weight of 237.36 g/mol. Its IUPAC name is ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine.

Molecular Properties

Compound Nameethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
PubChem CID163281895
Molecular FormulaC15H24FN
Molecular Weight237.36 g/mol
Exact Mass237.19
IUPAC Nameethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine
SMILESCC.CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C13H18FN.C2H6/c1-15-7-5-11(6-8-15)9-12-3-2-4-13(14)10-12;1-2/h2-4,10-11H,5-9H2,1H3;1-2H3
InChIKeyIELTUHMXGUUETE-UHFFFAOYSA-N
XLogP3.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.36
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propyl]-4-methylpiperazine
CID 75518320
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-[(3-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116926377
[4-[(3-fluorophenyl)methyl]cyclohexyl]methanamine
CID 90782527
1-(4-fluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;hydrochloride
CID 160688271
4-[(3-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine;hydrochloride
CID 23294547
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]propanamide
CID 47053789
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
4-[(3-fluorophenyl)methyl]cyclohexan-1-one
CID 83262075
2-[(3-fluorophenyl)methyl]-4-methylthiomorpholine
CID 174785090
1-(2,6-difluorophenyl)-2-[3-[(1-methylpiperidin-4-yl)methyl]phenyl]ethanone;dihydrochloride
CID 158177001

Frequently Asked Questions

What is the IUPAC name of ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine?
The IUPAC name of ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine (CID 163281895) is ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine.
What is the SMILES notation for ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine?
The canonical SMILES for ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine is CC.CN1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine?
The InChIKey is IELTUHMXGUUETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN.C2H6/c1-15-7-5-11(6-8-15)9-12-3-2-4-13(14)10-12;1-2/h2-4,10-11H,5-9H2,1H3;1-2H3.
What are the key properties of ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine?
ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine has a molecular weight of 237.36 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[(3-fluorophenyl)methyl]-1-methylpiperidine is sourced from PubChem (CID 163281895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).