1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine

C15H22F2N2 — CID 55175672

IUPAC1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-11(13-3-4-14(16)15(17)9-13)19-7-5-12(6-8-19)10-18-2/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyTWZFUEVTMGFOFD-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.96
Rot. Bonds4

About 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine

1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 55175672) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID55175672
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(C(C)c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C15H22F2N2/c1-11(13-3-4-14(16)15(17)9-13)19-7-5-12(6-8-19)10-18-2/h3-4,9,11-12,18H,5-8,10H2,1-2H3
InChIKeyTWZFUEVTMGFOFD-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[1-(3-chloro-4-fluorophenyl)ethyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263345
N-methyl-1-[1-(1-naphthalen-2-ylethyl)piperidin-4-yl]methanamine;hydrochloride
CID 119922301
1-[1-[1-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 63251056
N-methyl-1-[1-[1-(4-propylphenyl)ethyl]piperidin-4-yl]methanamine
CID 63250634
1-(3,4-difluorophenyl)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]ethanamine
CID 61207729
1-[1-[1-(3,4-difluorophenyl)ethyl]pyrrolidin-3-yl]ethanol
CID 110019990
1-[1-[1-(5-fluoro-2-pyridinyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 83124667
1-[1-[1-(4-fluorophenyl)propyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 119922604
2-methoxy-4-[1-[3-(methylaminomethyl)pyrrolidin-1-yl]ethyl]phenol
CID 63263171
1-[1-[1-(5-bromofuran-2-yl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 104653772
N-[[1-[1-(3-fluorophenyl)ethyl]piperidin-4-yl]methyl]ethanamine;hydrochloride
CID 119928208
N-(cyclohexylmethyl)-1-(3,4-difluorophenyl)ethanamine
CID 43216007

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine (CID 55175672) is 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(C(C)c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is TWZFUEVTMGFOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-11(13-3-4-14(16)15(17)9-13)19-7-5-12(6-8-19)10-18-2/h3-4,9,11-12,18H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(3,4-difluorophenyl)ethyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 55175672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).