N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

C14H20ClFN2 — CID 783350

IUPACN-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H20ClFN2/c1-17-8-6-11(7-9-17)18(2)10-12-13(15)4-3-5-14(12)16/h3-5,11H,6-10H2,1-2H3
InChIKeyKYCXLDNIRPXWKB-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.01
Rot. Bonds3

About N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 783350) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID783350
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC NameN-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2c(F)cccc2Cl)CC1
InChIInChI=1S/C14H20ClFN2/c1-17-8-6-11(7-9-17)18(2)10-12-13(15)4-3-5-14(12)16/h3-5,11H,6-10H2,1-2H3
InChIKeyKYCXLDNIRPXWKB-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-Chloro-6-fluoro-benzyl)-4-methyl-piperazine
CID 677773
Benzenemethanamine, 2-chloro-N-ethyl-6-fluoro-
CID 3034945
1-(2-(2-Chlorophenyl)-1-(3-fluorophenyl)ethyl)piperazine
CID 44414690
1-(2-(2-Chlorophenyl)-1-(4-fluorophenyl)ethyl)piperazine
CID 44414692
1-(2-(2-Chlorophenyl)-1-(2-fluorophenyl)ethyl)piperazine
CID 44414762
1-(2-Chloro-benzyl)-piperazine hydrochloride
CID 16809325
1-((2-Chloro-6-fluorophenyl)methyl)piperazine
CID 735737
1-(2-Chlorophenyl)-N,N-dimethylmethanamine
CID 818014
1-(2-Fluorobenzyl)-4-(propan-2-yl)piperazine
CID 882893
1-[(2-Chlorophenyl)methyl]-4-(3-phenylpropyl)piperazine
CID 742594
1-Benzyl-4-[(2-chlorophenyl)methyl]piperazine
CID 764825
N-(2-chloro-6-fluorobenzyl)-N-hexylamine
CID 1814789

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 783350) is N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2c(F)cccc2Cl)CC1.
What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is KYCXLDNIRPXWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-17-8-6-11(7-9-17)18(2)10-12-13(15)4-3-5-14(12)16/h3-5,11H,6-10H2,1-2H3.
What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-fluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 783350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).