N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine

C14H20ClFN2 — CID 43313518

IUPACN-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccc(F)cc2CCl)CC1
InChIInChI=1S/C14H20ClFN2/c1-17-7-5-13(6-8-17)18(2)14-4-3-12(16)9-11(14)10-15/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyRIXRBSXPHWRLME-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.09
Rot. Bonds3

About N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine

N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 43313518) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
PubChem CID43313518
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccc(F)cc2CCl)CC1
InChIInChI=1S/C14H20ClFN2/c1-17-7-5-13(6-8-17)18(2)14-4-3-12(16)9-11(14)10-15/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyRIXRBSXPHWRLME-UHFFFAOYSA-N
XLogP3.09
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
N-[2-(chloromethyl)-4-fluorophenyl]-N-methylthiolan-3-amine
CID 43313555
2-(chloromethyl)-4-fluoro-N-methyl-N-(3-methylcyclohexyl)aniline
CID 63539775
[2-[(1-ethylpiperidin-4-yl)-methylamino]-5-fluorophenyl]methanol
CID 55004619
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
4-fluoro-2-[[methyl-(1-methylpiperidin-4-yl)amino]methyl]phenol
CID 107701864
N-[(2-amino-5-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
CID 43382206
N-[4-(aminomethyl)-2,3-difluorophenyl]-N,1-dimethylpiperidin-4-amine
CID 107932671
N-cyclopropyl-2-(ethylaminomethyl)-4-fluoro-N-methylaniline
CID 43313923
2-(chloromethyl)-N-cyclopropyl-4-fluoro-N-propylaniline
CID 43313547
[5-fluoro-2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]phenyl]methanol
CID 55175384
N-[4-chloro-2-[(propan-2-ylamino)methyl]phenyl]-N,1-dimethylpiperidin-4-amine
CID 114847469

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine (CID 43313518) is N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)c2ccc(F)cc2CCl)CC1.
What is the InChIKey of N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is RIXRBSXPHWRLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-17-7-5-13(6-8-17)18(2)14-4-3-12(16)9-11(14)10-15/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine?
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 43313518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).