1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine

C15H22F2N2 — CID 114507833

IUPAC1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine
SMILESCCC1CN(Cc2cc(F)ccc2F)CCC1NC
InChIInChI=1S/C15H22F2N2/c1-3-11-9-19(7-6-15(11)18-2)10-12-8-13(16)4-5-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyMSTKFSPMJRXGKE-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.78
Rot. Bonds4

About 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine

1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine (PubChem CID 114507833) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine
PubChem CID114507833
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine
SMILESCCC1CN(Cc2cc(F)ccc2F)CCC1NC
InChIInChI=1S/C15H22F2N2/c1-3-11-9-19(7-6-15(11)18-2)10-12-8-13(16)4-5-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3
InChIKeyMSTKFSPMJRXGKE-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-[(2-fluoro-4-methoxyphenyl)methyl]-N-methylpiperidin-4-amine
CID 102875920
1-[(2,5-difluorophenyl)methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119918436
methyl 1-[(2,5-difluorophenyl)methyl]pyrrolidine-3-carboxylate
CID 112730829
N-[[1-[(2,5-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
CID 55235310
3-ethyl-N-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 114507825
1-[(2-bromo-5-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905765
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
N,3-diethyl-1-[(3-fluorophenyl)methyl]piperidin-4-amine
CID 114507392
3-chloro-1-[(2,5-difluorophenyl)methyl]piperidine
CID 63386784
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
1-[1-[(2,5-difluorophenyl)methyl]piperidin-4-yl]ethanone
CID 63846321
(3S)-1-[(2,5-difluorophenyl)methyl]piperidine-3-carboxylic acid
CID 24904996

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine (CID 114507833) is 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine is CCC1CN(Cc2cc(F)ccc2F)CCC1NC.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine?
The InChIKey is MSTKFSPMJRXGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-3-11-9-19(7-6-15(11)18-2)10-12-8-13(16)4-5-14(12)17/h4-5,8,11,15,18H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine?
1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine has a molecular weight of 268.35 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-ethyl-N-methylpiperidin-4-amine is sourced from PubChem (CID 114507833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).