N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine

C13H18F2N2 — CID 79707069

IUPACN-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccc(CNCC2CCNCC2)c(F)c1
InChIInChI=1S/C13H18F2N2/c14-12-2-1-11(13(15)7-12)9-17-8-10-3-5-16-6-4-10/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyGTMNPKZCBFSDSR-UHFFFAOYSA-N
MW240.30 g/mol
LogP2.05
Rot. Bonds4

About N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine

N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 79707069) has the molecular formula C13H18F2N2 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID79707069
Molecular FormulaC13H18F2N2
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC NameN-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccc(CNCC2CCNCC2)c(F)c1
InChIInChI=1S/C13H18F2N2/c14-12-2-1-11(13(15)7-12)9-17-8-10-3-5-16-6-4-10/h1-2,7,10,16-17H,3-6,8-9H2
InChIKeyGTMNPKZCBFSDSR-UHFFFAOYSA-N
XLogP2.05
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine (CID 79707069) is N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine is Fc1ccc(CNCC2CCNCC2)c(F)c1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is GTMNPKZCBFSDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2/c14-12-2-1-11(13(15)7-12)9-17-8-10-3-5-16-6-4-10/h1-2,7,10,16-17H,3-6,8-9H2.
What are the key properties of N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine?
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 240.30 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 79707069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).