1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine

C14H20ClFN2 — CID 112652864

IUPAC1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cccc(F)c2Cl)CC1
InChIInChI=1S/C14H20ClFN2/c1-14(17-2)6-8-18(9-7-14)10-11-4-3-5-12(16)13(11)15/h3-5,17H,6-10H2,1-2H3
InChIKeyKBTDNBIECFANAF-UHFFFAOYSA-N
MW270.78 g/mol
LogP3.05
Rot. Bonds3

About 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine

1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine (PubChem CID 112652864) has the molecular formula C14H20ClFN2 and a molecular weight of 270.78 g/mol. Its IUPAC name is 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
PubChem CID112652864
Molecular FormulaC14H20ClFN2
Molecular Weight270.78 g/mol
Exact Mass270.13
IUPAC Name1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(Cc2cccc(F)c2Cl)CC1
InChIInChI=1S/C14H20ClFN2/c1-14(17-2)6-8-18(9-7-14)10-11-4-3-5-12(16)13(11)15/h3-5,17H,6-10H2,1-2H3
InChIKeyKBTDNBIECFANAF-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.78
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine (CID 112652864) is 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(Cc2cccc(F)c2Cl)CC1.
What is the InChIKey of 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
The InChIKey is KBTDNBIECFANAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClFN2/c1-14(17-2)6-8-18(9-7-14)10-11-4-3-5-12(16)13(11)15/h3-5,17H,6-10H2,1-2H3.
What are the key properties of 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine?
1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine has a molecular weight of 270.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-3-fluorophenyl)methyl]-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 112652864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).