1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine

C20H23FN2 — CID 101080302

IUPAC1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine
SMILESCc1cc(F)ccc1N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H23FN2/c1-15-13-17(21)7-8-19(15)22-9-11-23(12-10-22)20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14H2,1H3/t18-,20+/m0/s1
InChIKeyYEIXBTOVSKMHBO-AZUAARDMSA-N
MW310.42 g/mol
LogP3.81
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine

1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine (PubChem CID 101080302) has the molecular formula C20H23FN2 and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine
PubChem CID101080302
Molecular FormulaC20H23FN2
Molecular Weight310.42 g/mol
Exact Mass310.18
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine
SMILESCc1cc(F)ccc1N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1
InChIInChI=1S/C20H23FN2/c1-15-13-17(21)7-8-19(15)22-9-11-23(12-10-22)20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14H2,1H3/t18-,20+/m0/s1
InChIKeyYEIXBTOVSKMHBO-AZUAARDMSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine (CID 101080302) is 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine is Cc1cc(F)ccc1N1CCN([C@@H]2C[C@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine?
The InChIKey is YEIXBTOVSKMHBO-AZUAARDMSA-N. The full InChI is InChI=1S/C20H23FN2/c1-15-13-17(21)7-8-19(15)22-9-11-23(12-10-22)20-14-18(20)16-5-3-2-4-6-16/h2-8,13,18,20H,9-12,14H2,1H3/t18-,20+/m0/s1.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine?
1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine has a molecular weight of 310.42 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)-4-[(1R,2S)-2-phenylcyclopropyl]piperazine is sourced from PubChem (CID 101080302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).