2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine

C13H18F2N2 — CID 82292770

IUPAC2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H18F2N2/c14-12-2-1-11(9-13(12)15)10-3-6-17(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2
InChIKeyLILXVOCXGBLDOD-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.10
Rot. Bonds3

About 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine

2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine (PubChem CID 82292770) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
PubChem CID82292770
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Name2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine
SMILESNCCN1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H18F2N2/c14-12-2-1-11(9-13(12)15)10-3-6-17(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2
InChIKeyLILXVOCXGBLDOD-UHFFFAOYSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-(3,4-difluorophenyl)-1-(2-methoxyethyl)pyrrolidine
CID 71040970
2-[4-(4-ethylphenyl)piperidin-1-yl]ethanamine
CID 82128932
2-[4-(5-bromo-2-fluorophenyl)piperidin-1-yl]ethanamine
CID 116962876
3-[4-(4-fluorophenyl)piperidin-1-yl]propan-1-amine;dihydrochloride
CID 18326605
3-[4-(4-chlorophenyl)piperidin-1-yl]propan-1-amine
CID 82131800
5-[1-(2-aminoethyl)piperidin-4-yl]-3H-1,3-benzoxazol-2-one
CID 116962874
2-chloro-1-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanone
CID 166403888
1-(2-aminoethyl)-N-[(5-chloro-2-fluorophenyl)methyl]piperidin-4-amine
CID 117044801
1-[[3-(3,4-difluorophenyl)pyrrolidin-1-yl]methyl]imidazole
CID 91430060
3-[1-[(3R)-3-amino-4-(3,4-difluorophenyl)butyl]piperidin-4-yl]phenol
CID 44523571
(5-cyclopropyl-2-fluorophenyl)methanamine
CID 62490322
4-cyclopropyl-1,2-difluorobenzene;formic acid
CID 144529056

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine?
The IUPAC name of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine (CID 82292770) is 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine is NCCN1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine?
The InChIKey is LILXVOCXGBLDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-12-2-1-11(9-13(12)15)10-3-6-17(7-4-10)8-5-16/h1-2,9-10H,3-8,16H2.
What are the key properties of 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine?
2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine has a molecular weight of 240.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-difluorophenyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 82292770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).