1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

C21H27ClFN3 — CID 120967780

IUPAC1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCl.Fc1cc(-c2ccccc2)ccc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H26FN3.ClH/c22-21-14-18(17-4-2-1-3-5-17)6-7-19(21)15-24-11-8-20(16-24)25-12-9-23-10-13-25;/h1-7,14,20,23H,8-13,15-16H2;1H
InChIKeyRFRUGBCWLPBBCR-UHFFFAOYSA-N
MW375.92 g/mol
LogP3.39
Rot. Bonds4

About 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride

1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (PubChem CID 120967780) has the molecular formula C21H27ClFN3 and a molecular weight of 375.92 g/mol. Its IUPAC name is 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
PubChem CID120967780
Molecular FormulaC21H27ClFN3
Molecular Weight375.92 g/mol
Exact Mass375.19
IUPAC Name1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
SMILESCl.Fc1cc(-c2ccccc2)ccc1CN1CCC(N2CCNCC2)C1
InChIInChI=1S/C21H26FN3.ClH/c22-21-14-18(17-4-2-1-3-5-17)6-7-19(21)15-24-11-8-20(16-24)25-12-9-23-10-13-25;/h1-7,14,20,23H,8-13,15-16H2;1H
InChIKeyRFRUGBCWLPBBCR-UHFFFAOYSA-N
XLogP3.39
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(2,4-difluorophenyl)methyl]azetidin-3-yl]piperazine
CID 66203000
1-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968440
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 64768274
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]benzoic acid
CID 63531304
1-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967906
3-fluoro-4-[(3-piperazin-1-ylazetidin-1-yl)methyl]benzamide
CID 66196185
3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]-2-piperidin-1-ylquinoline;hydrochloride
CID 120968349
1-[1-[(2-fluoro-6-pyrrolidin-1-ylphenyl)methyl]pyrrolidin-3-yl]piperazine
CID 120968312
2-methoxy-3-[(3-piperazin-1-ylpyrrolidin-1-yl)methyl]phenol;hydrochloride
CID 120967910
1-[1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968330
1-[1-[(4,5-dimethoxy-2-methylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120967858
1-[1-[(2-phenylpyrazol-3-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967885

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The IUPAC name of 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride (CID 120967780) is 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride.
What is the SMILES notation for 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The canonical SMILES for 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is Cl.Fc1cc(-c2ccccc2)ccc1CN1CCC(N2CCNCC2)C1.
What is the InChIKey of 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
The InChIKey is RFRUGBCWLPBBCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3.ClH/c22-21-14-18(17-4-2-1-3-5-17)6-7-19(21)15-24-11-8-20(16-24)25-12-9-23-10-13-25;/h1-7,14,20,23H,8-13,15-16H2;1H.
What are the key properties of 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride?
1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-fluoro-4-phenylphenyl)methyl]pyrrolidin-3-yl]piperazine;hydrochloride is sourced from PubChem (CID 120967780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).