N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

C14H20F2N2 — CID 782297

IUPACN-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2/c1-17-7-5-13(6-8-17)18(2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyJGCFHFWLBNMJQR-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.49
Rot. Bonds3

About N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine

N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (PubChem CID 782297) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
PubChem CID782297
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC NameN-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)Cc2cc(F)ccc2F)CC1
InChIInChI=1S/C14H20F2N2/c1-17-7-5-13(6-8-17)18(2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13H,5-8,10H2,1-2H3
InChIKeyJGCFHFWLBNMJQR-UHFFFAOYSA-N
XLogP2.49
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine (CID 782297) is N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)Cc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
The InChIKey is JGCFHFWLBNMJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-17-7-5-13(6-8-17)18(2)10-11-9-12(15)3-4-14(11)16/h3-4,9,13H,5-8,10H2,1-2H3.
What are the key properties of N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine?
N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 782297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).