1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine

C27H29F2NO — CID 10812134

IUPAC1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine
SMILESFc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H29F2NO/c28-25-10-6-22(7-11-25)20-30-17-14-21(15-18-30)16-19-31-27(23-4-2-1-3-5-23)24-8-12-26(29)13-9-24/h1-13,21,27H,14-20H2
InChIKeyMGESTBXJNHZBDQ-UHFFFAOYSA-N
MW421.53 g/mol
LogP6.37
Rot. Bonds8

About 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine

1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine (PubChem CID 10812134) has the molecular formula C27H29F2NO and a molecular weight of 421.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine
PubChem CID10812134
Molecular FormulaC27H29F2NO
Molecular Weight421.53 g/mol
Exact Mass421.22
IUPAC Name1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine
SMILESFc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C27H29F2NO/c28-25-10-6-22(7-11-25)20-30-17-14-21(15-18-30)16-19-31-27(23-4-2-1-3-5-23)24-8-12-26(29)13-9-24/h1-13,21,27H,14-20H2
InChIKeyMGESTBXJNHZBDQ-UHFFFAOYSA-N
XLogP6.37
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.53
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine (CID 10812134) is 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine is Fc1ccc(CN2CCC(CCOC(c3ccccc3)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine?
The InChIKey is MGESTBXJNHZBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2NO/c28-25-10-6-22(7-11-25)20-30-17-14-21(15-18-30)16-19-31-27(23-4-2-1-3-5-23)24-8-12-26(29)13-9-24/h1-13,21,27H,14-20H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine?
1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine has a molecular weight of 421.53 g/mol, XLogP of 6.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-[2-[(4-fluorophenyl)-phenylmethoxy]ethyl]piperidine is sourced from PubChem (CID 10812134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).