[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone

C26H26FN3O — CID 85325965

IUPAC[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone
SMILESNCc1ccc(F)c(C2CCN(C(=O)c3cncc(C=Cc4ccccc4)c3)CC2)c1
InChIInChI=1S/C26H26FN3O/c27-25-9-8-20(16-28)15-24(25)22-10-12-30(13-11-22)26(31)23-14-21(17-29-18-23)7-6-19-4-2-1-3-5-19/h1-9,14-15,17-18,22H,10-13,16,28H2
InChIKeyGTCKNSQSDZVVCC-UHFFFAOYSA-N
MW415.51 g/mol
LogP4.87
Rot. Bonds5

About [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone

[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone (PubChem CID 85325965) has the molecular formula C26H26FN3O and a molecular weight of 415.51 g/mol. Its IUPAC name is [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone
PubChem CID85325965
Molecular FormulaC26H26FN3O
Molecular Weight415.51 g/mol
Exact Mass415.21
IUPAC Name[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone
SMILESNCc1ccc(F)c(C2CCN(C(=O)c3cncc(C=Cc4ccccc4)c3)CC2)c1
InChIInChI=1S/C26H26FN3O/c27-25-9-8-20(16-28)15-24(25)22-10-12-30(13-11-22)26(31)23-14-21(17-29-18-23)7-6-19-4-2-1-3-5-19/h1-9,14-15,17-18,22H,10-13,16,28H2
InChIKeyGTCKNSQSDZVVCC-UHFFFAOYSA-N
XLogP4.87
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.51
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone with MolForge

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Related Compounds

[5-(2-phenylethenyl)-3-pyridinyl]-(4-phenylpiperidin-1-yl)methanone
CID 174395737
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-phenylethyl)indol-3-yl]methanone
CID 67255402
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-pyridin-4-ylethyl)indol-3-yl]methanone
CID 67257983
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(1-phenylethyl)indol-3-yl]methanone
CID 172751087
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-methoxyethyl)indol-2-yl]methanone
CID 163426764
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-pyridin-2-ylethyl)indol-3-yl]methanone
CID 53258378
[4-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736655
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-methyl-1-(3-phenylpropyl)indol-3-yl]methanone
CID 53258372
3-[5-(pyrrolidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 54974747
(4-benzylsulfonylpiperidin-1-yl)-(5-fluoro-3-pyridinyl)methanone
CID 119105563
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[1-(2-ethoxyethyl)pyrrolo[3,2-c]pyridin-3-yl]methanone
CID 53258776
(5-hydroxy-3-pyridinyl)-(4-phenylpiperidin-1-yl)methanone
CID 63859040

Frequently Asked Questions

What is the IUPAC name of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone?
The IUPAC name of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone (CID 85325965) is [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone.
What is the SMILES notation for [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone?
The canonical SMILES for [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone is NCc1ccc(F)c(C2CCN(C(=O)c3cncc(C=Cc4ccccc4)c3)CC2)c1.
What is the InChIKey of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone?
The InChIKey is GTCKNSQSDZVVCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O/c27-25-9-8-20(16-28)15-24(25)22-10-12-30(13-11-22)26(31)23-14-21(17-29-18-23)7-6-19-4-2-1-3-5-19/h1-9,14-15,17-18,22H,10-13,16,28H2.
What are the key properties of [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone?
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone has a molecular weight of 415.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[5-(2-phenylethenyl)-3-pyridinyl]methanone is sourced from PubChem (CID 85325965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).