2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine

C16H23F2N3 — CID 63785227

IUPAC2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(N2CCN(CC3CC3)CC2)c(F)c1
InChIInChI=1S/C16H23F2N3/c17-14-9-13(3-4-19)10-15(18)16(14)21-7-5-20(6-8-21)11-12-1-2-12/h9-10,12H,1-8,11,19H2
InChIKeyCJXXYMDFZUJDSP-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.00
Rot. Bonds5

About 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine

2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine (PubChem CID 63785227) has the molecular formula C16H23F2N3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine
PubChem CID63785227
Molecular FormulaC16H23F2N3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine
SMILESNCCc1cc(F)c(N2CCN(CC3CC3)CC2)c(F)c1
InChIInChI=1S/C16H23F2N3/c17-14-9-13(3-4-19)10-15(18)16(14)21-7-5-20(6-8-21)11-12-1-2-12/h9-10,12H,1-8,11,19H2
InChIKeyCJXXYMDFZUJDSP-UHFFFAOYSA-N
XLogP2.00
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine?
The IUPAC name of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine (CID 63785227) is 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine.
What is the SMILES notation for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine?
The canonical SMILES for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine is NCCc1cc(F)c(N2CCN(CC3CC3)CC2)c(F)c1.
What is the InChIKey of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine?
The InChIKey is CJXXYMDFZUJDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N3/c17-14-9-13(3-4-19)10-15(18)16(14)21-7-5-20(6-8-21)11-12-1-2-12/h9-10,12H,1-8,11,19H2.
What are the key properties of 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine?
2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine has a molecular weight of 295.38 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]-3,5-difluorophenyl]ethanamine is sourced from PubChem (CID 63785227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).