N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

C15H22F2N2 — CID 115615001

IUPACN-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H22F2N2/c1-19-8-5-12(6-9-19)4-7-18-11-13-10-14(16)2-3-15(13)17/h2-3,10,12,18H,4-9,11H2,1H3
InChIKeyYAJXYTMSAYBIAB-UHFFFAOYSA-N
MW268.35 g/mol
LogP2.79
Rot. Bonds5

About N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine

N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (PubChem CID 115615001) has the molecular formula C15H22F2N2 and a molecular weight of 268.35 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
PubChem CID115615001
Molecular FormulaC15H22F2N2
Molecular Weight268.35 g/mol
Exact Mass268.18
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
SMILESCN1CCC(CCNCc2cc(F)ccc2F)CC1
InChIInChI=1S/C15H22F2N2/c1-19-8-5-12(6-9-19)4-7-18-11-13-10-14(16)2-3-15(13)17/h2-3,10,12,18H,4-9,11H2,1H3
InChIKeyYAJXYTMSAYBIAB-UHFFFAOYSA-N
XLogP2.79
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzene-1,3-diol
CID 115614980
3-fluoro-4-[[2-(1-methylpiperidin-4-yl)ethylamino]methyl]benzamide
CID 114515450
N-[(2-chloro-5-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 102615607
N-[(4-ethylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615095
2-(1-methylpiperidin-4-yl)-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]ethanamine
CID 114515132
N-[(3-bromo-5-fluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515369
N-[(2,5-dimethylthiophen-3-yl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115697446
N-[[2-(methoxymethyl)phenyl]methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 114515268
N-[(2,5-difluorophenyl)methyl]-2-morpholin-4-ylethanamine
CID 43312645
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933
N-[(4-tert-butylphenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine
CID 115615117
2-[(2,5-difluorophenyl)methyl]-1-ethyl-3-[(1-methylpiperidin-4-yl)methyl]guanidine
CID 111903073

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine (CID 115615001) is N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is CN1CCC(CCNCc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
The InChIKey is YAJXYTMSAYBIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2/c1-19-8-5-12(6-9-19)4-7-18-11-13-10-14(16)2-3-15(13)17/h2-3,10,12,18H,4-9,11H2,1H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine?
N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine has a molecular weight of 268.35 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-(1-methylpiperidin-4-yl)ethanamine is sourced from PubChem (CID 115615001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).