2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine

C27H28FN — CID 18423552

IUPAC2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine
SMILESFc1cccc(-c2ccc(C3CCCCN3CC3CC3c3ccccc3)cc2)c1
InChIInChI=1S/C27H28FN/c28-25-10-6-9-23(17-25)20-12-14-22(15-13-20)27-11-4-5-16-29(27)19-24-18-26(24)21-7-2-1-3-8-21/h1-3,6-10,12-15,17,24,26-27H,4-5,11,16,18-19H2
InChIKeyHZWWJKWAVHWXRQ-UHFFFAOYSA-N
MW385.53 g/mol
LogP6.82
Rot. Bonds5

About 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine

2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine (PubChem CID 18423552) has the molecular formula C27H28FN and a molecular weight of 385.53 g/mol. Its IUPAC name is 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine.

Molecular Properties

Compound Name2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine
PubChem CID18423552
Molecular FormulaC27H28FN
Molecular Weight385.53 g/mol
Exact Mass385.22
IUPAC Name2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine
SMILESFc1cccc(-c2ccc(C3CCCCN3CC3CC3c3ccccc3)cc2)c1
InChIInChI=1S/C27H28FN/c28-25-10-6-9-23(17-25)20-12-14-22(15-13-20)27-11-4-5-16-29(27)19-24-18-26(24)21-7-2-1-3-8-21/h1-3,6-10,12-15,17,24,26-27H,4-5,11,16,18-19H2
InChIKeyHZWWJKWAVHWXRQ-UHFFFAOYSA-N
XLogP6.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.53
LogP ≤ 56.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine?
The IUPAC name of 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine (CID 18423552) is 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine.
What is the SMILES notation for 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine?
The canonical SMILES for 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine is Fc1cccc(-c2ccc(C3CCCCN3CC3CC3c3ccccc3)cc2)c1.
What is the InChIKey of 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine?
The InChIKey is HZWWJKWAVHWXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN/c28-25-10-6-9-23(17-25)20-12-14-22(15-13-20)27-11-4-5-16-29(27)19-24-18-26(24)21-7-2-1-3-8-21/h1-3,6-10,12-15,17,24,26-27H,4-5,11,16,18-19H2.
What are the key properties of 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine?
2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine has a molecular weight of 385.53 g/mol, XLogP of 6.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorophenyl)phenyl]-1-[(2-phenylcyclopropyl)methyl]piperidine is sourced from PubChem (CID 18423552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).