4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide

C20H25F2N5 — CID 90999259

IUPAC4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(Cc2cccnc2CCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H25F2N5/c21-17-6-7-18(22)15(13-17)3-1-5-19-16(4-2-8-25-19)14-26-9-11-27(12-10-26)20(23)24/h2,4,6-8,13H,1,3,5,9-12,14H2,(H3,23,24)
InChIKeyFMFTXMMPZQZCJT-UHFFFAOYSA-N
MW373.45 g/mol
LogP2.55
Rot. Bonds6

About 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide

4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide (PubChem CID 90999259) has the molecular formula C20H25F2N5 and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide
PubChem CID90999259
Molecular FormulaC20H25F2N5
Molecular Weight373.45 g/mol
Exact Mass373.21
IUPAC Name4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCN(Cc2cccnc2CCCc2cc(F)ccc2F)CC1
InChIInChI=1S/C20H25F2N5/c21-17-6-7-18(22)15(13-17)3-1-5-19-16(4-2-8-25-19)14-26-9-11-27(12-10-26)20(23)24/h2,4,6-8,13H,1,3,5,9-12,14H2,(H3,23,24)
InChIKeyFMFTXMMPZQZCJT-UHFFFAOYSA-N
XLogP2.55
TPSA69.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[2-[(3,5-ditert-butylphenyl)methylsulfanyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide
CID 89061825
(Z)-2-chloro-3-[4-[(2-propyl-3-pyridinyl)methyl]piperazin-1-yl]but-2-enamide
CID 177290484
2-[4-[(2-chloro-5-fluorophenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 99827339
(3,4-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23736422
[2-(azetidin-1-ylmethyl)-3-pyridinyl]methanamine
CID 105437205
cyclopentyl-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23910095
[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 31113719
1-[(2,5-difluorophenyl)methyl]piperidin-4-ol
CID 24904993
3-[(4,4-diethylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 63158312
(3,5-difluorophenyl)-[4-[(2,5-difluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 23792504
(4-bromophenyl)-[4-[(2,5-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 23824420
1-[(4-fluorophenyl)methyl]-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 171690633

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide (CID 90999259) is 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide is [H]/N=C(\N)N1CCN(Cc2cccnc2CCCc2cc(F)ccc2F)CC1.
What is the InChIKey of 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide?
The InChIKey is FMFTXMMPZQZCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N5/c21-17-6-7-18(22)15(13-17)3-1-5-19-16(4-2-8-25-19)14-26-9-11-27(12-10-26)20(23)24/h2,4,6-8,13H,1,3,5,9-12,14H2,(H3,23,24).
What are the key properties of 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide?
4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide has a molecular weight of 373.45 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[3-(2,5-difluorophenyl)propyl]-3-pyridinyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 90999259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).