1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine

C14H20F2N2 — CID 55093529

IUPAC1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(CCc2cc(F)cc(F)c2)CCC1N
InChIInChI=1S/C14H20F2N2/c1-10-9-18(5-3-14(10)17)4-2-11-6-12(15)8-13(16)7-11/h6-8,10,14H,2-5,9,17H2,1H3
InChIKeyIOGOTTACMUYAFJ-UHFFFAOYSA-N
MW254.32 g/mol
LogP2.18
Rot. Bonds3

About 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine

1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine (PubChem CID 55093529) has the molecular formula C14H20F2N2 and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine
PubChem CID55093529
Molecular FormulaC14H20F2N2
Molecular Weight254.32 g/mol
Exact Mass254.16
IUPAC Name1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine
SMILESCC1CN(CCc2cc(F)cc(F)c2)CCC1N
InChIInChI=1S/C14H20F2N2/c1-10-9-18(5-3-14(10)17)4-2-11-6-12(15)8-13(16)7-11/h6-8,10,14H,2-5,9,17H2,1H3
InChIKeyIOGOTTACMUYAFJ-UHFFFAOYSA-N
XLogP2.18
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine?
The IUPAC name of 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine (CID 55093529) is 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine is CC1CN(CCc2cc(F)cc(F)c2)CCC1N.
What is the InChIKey of 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine?
The InChIKey is IOGOTTACMUYAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2/c1-10-9-18(5-3-14(10)17)4-2-11-6-12(15)8-13(16)7-11/h6-8,10,14H,2-5,9,17H2,1H3.
What are the key properties of 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine?
1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine has a molecular weight of 254.32 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-difluorophenyl)ethyl]-3-methylpiperidin-4-amine is sourced from PubChem (CID 55093529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).