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

C21H25FN2 — CID 10615990

IUPAC1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESCc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1
InChIKeyAJKCXWJAJVDPNV-UYAOXDASSA-N
MW324.44 g/mol
LogP4.06
Rot. Bonds4

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

1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (PubChem CID 10615990) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
PubChem CID10615990
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine
SMILESCc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1
InChIInChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1
InChIKeyAJKCXWJAJVDPNV-UYAOXDASSA-N
XLogP4.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.06
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-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine (CID 10615990) is 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is Cc1cc(F)ccc1N1CCN(C[C@H]2C[C@@H]2c2ccccc2)CC1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
The InChIKey is AJKCXWJAJVDPNV-UYAOXDASSA-N. The full InChI is InChI=1S/C21H25FN2/c1-16-13-19(22)7-8-21(16)24-11-9-23(10-12-24)15-18-14-20(18)17-5-3-2-4-6-17/h2-8,13,18,20H,9-12,14-15H2,1H3/t18-,20-/m1/s1.
What are the key properties of 1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine?
1-(4-fluoro-2-methylphenyl)-4-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine has a molecular weight of 324.44 g/mol, XLogP of 4.06, 4 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-[[(1S,2S)-2-phenylcyclopropyl]methyl]piperazine is sourced from PubChem (CID 10615990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).