N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine

C26H32F2N4 — CID 140939081

IUPACN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
SMILESFC1(F)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C26H32F2N4/c27-26(28)10-15-31(16-11-26)17-12-29-22-8-13-32(14-9-22)23-6-3-5-20(18-23)25-19-21-4-1-2-7-24(21)30-25/h1-7,18-19,22,29-30H,8-17H2
InChIKeyLOPWHJFPFKSIEC-UHFFFAOYSA-N
MW438.57 g/mol
LogP5.12
Rot. Bonds6

About N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine

N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine (PubChem CID 140939081) has the molecular formula C26H32F2N4 and a molecular weight of 438.57 g/mol. Its IUPAC name is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine.

Molecular Properties

Compound NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
PubChem CID140939081
Molecular FormulaC26H32F2N4
Molecular Weight438.57 g/mol
Exact Mass438.26
IUPAC NameN-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine
SMILESFC1(F)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1
InChIInChI=1S/C26H32F2N4/c27-26(28)10-15-31(16-11-26)17-12-29-22-8-13-32(14-9-22)23-6-3-5-20(18-23)25-19-21-4-1-2-7-24(21)30-25/h1-7,18-19,22,29-30H,8-17H2
InChIKeyLOPWHJFPFKSIEC-UHFFFAOYSA-N
XLogP5.12
TPSA34.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.57
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The IUPAC name of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine (CID 140939081) is N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine.
What is the SMILES notation for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The canonical SMILES for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine is FC1(F)CCN(CCNC2CCN(c3cccc(-c4cc5ccccc5[nH]4)c3)CC2)CC1.
What is the InChIKey of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
The InChIKey is LOPWHJFPFKSIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N4/c27-26(28)10-15-31(16-11-26)17-12-29-22-8-13-32(14-9-22)23-6-3-5-20(18-23)25-19-21-4-1-2-7-24(21)30-25/h1-7,18-19,22,29-30H,8-17H2.
What are the key properties of N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine?
N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine has a molecular weight of 438.57 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine is sourced from PubChem (CID 140939081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).