1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine

C19H29FN4 — CID 120968312

IUPAC1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine
SMILESFc1cccc(N2CCCC2)c1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H29FN4/c20-18-4-3-5-19(24-9-1-2-10-24)17(18)15-22-11-6-16(14-22)23-12-7-21-8-13-23/h3-5,16,21H,1-2,6-15H2
InChIKeyQWJPSFVFBBCZMB-UHFFFAOYSA-N
MW332.47 g/mol
LogP1.91
Rot. Bonds4

About 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine

1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine (PubChem CID 120968312) has the molecular formula C19H29FN4 and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine
PubChem CID120968312
Molecular FormulaC19H29FN4
Molecular Weight332.47 g/mol
Exact Mass332.24
IUPAC Name1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine
SMILESFc1cccc(N2CCCC2)c1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C19H29FN4/c20-18-4-3-5-19(24-9-1-2-10-24)17(18)15-22-11-6-16(14-22)23-12-7-21-8-13-23/h3-5,16,21H,1-2,6-15H2
InChIKeyQWJPSFVFBBCZMB-UHFFFAOYSA-N
XLogP1.91
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine (CID 120968312) is 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine is Fc1cccc(N2CCCC2)c1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine?
The InChIKey is QWJPSFVFBBCZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4/c20-18-4-3-5-19(24-9-1-2-10-24)17(18)15-22-11-6-16(14-22)23-12-7-21-8-13-23/h3-5,16,21H,1-2,6-15H2.
What are the key properties of 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine?
1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine has a molecular weight of 332.47 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 120968312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).