1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine

C21H24F3N3 — CID 75102647

IUPAC1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
SMILESFc1ccc(C2CNNC2C2CCCN(Cc3c(F)cccc3F)C2)cc1
InChIInChI=1S/C21H24F3N3/c22-16-8-6-14(7-9-16)17-11-25-26-21(17)15-3-2-10-27(12-15)13-18-19(23)4-1-5-20(18)24/h1,4-9,15,17,21,25-26H,2-3,10-13H2
InChIKeyHMIJRSCCZYEQMI-UHFFFAOYSA-N
MW375.44 g/mol
LogP3.58
Rot. Bonds4

About 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine

1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine (PubChem CID 75102647) has the molecular formula C21H24F3N3 and a molecular weight of 375.44 g/mol. Its IUPAC name is 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine.

Molecular Properties

Compound Name1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
PubChem CID75102647
Molecular FormulaC21H24F3N3
Molecular Weight375.44 g/mol
Exact Mass375.19
IUPAC Name1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine
SMILESFc1ccc(C2CNNC2C2CCCN(Cc3c(F)cccc3F)C2)cc1
InChIInChI=1S/C21H24F3N3/c22-16-8-6-14(7-9-16)17-11-25-26-21(17)15-3-2-10-27(12-15)13-18-19(23)4-1-5-20(18)24/h1,4-9,15,17,21,25-26H,2-3,10-13H2
InChIKeyHMIJRSCCZYEQMI-UHFFFAOYSA-N
XLogP3.58
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[3-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]phenol
CID 74502965
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-3-methoxyphenol
CID 74787142
3-[4-(3-fluorophenyl)pyrazolidin-3-yl]-1-[(3-methylphenyl)methyl]piperidine
CID 74802591
2-[[3-[4-(2,4-difluorophenyl)pyrazolidin-3-yl]piperidin-1-yl]methyl]-5-methoxyphenol
CID 74802815
1-[(4-fluorophenyl)methyl]-4-[4-(3-fluorophenyl)pyrazolidin-3-yl]piperidine
CID 74498362
[(3S)-1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]methanol
CID 129380640
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111
7-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 167835617
2-[[3-(4-ethylpyrazolidin-3-yl)piperidin-1-yl]methyl]phenol
CID 75100275
ethane;(3R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-3-methylpiperidine
CID 144598997

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine?
The IUPAC name of 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine (CID 75102647) is 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine.
What is the SMILES notation for 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine?
The canonical SMILES for 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine is Fc1ccc(C2CNNC2C2CCCN(Cc3c(F)cccc3F)C2)cc1.
What is the InChIKey of 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine?
The InChIKey is HMIJRSCCZYEQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3/c22-16-8-6-14(7-9-16)17-11-25-26-21(17)15-3-2-10-27(12-15)13-18-19(23)4-1-5-20(18)24/h1,4-9,15,17,21,25-26H,2-3,10-13H2.
What are the key properties of 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine?
1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine has a molecular weight of 375.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)pyrazolidin-3-yl]piperidine is sourced from PubChem (CID 75102647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).