4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate

C29H33FN2O3 — CID 10205836

IUPAC4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33FN2O3/c30-25-13-15-26(16-14-25)31-29(33)34-22-8-7-19-32-20-17-27(18-21-32)35-28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27-28H,7-8,17-22H2,(H,31,33)
InChIKeyWLJQCKZUHRFXBV-UHFFFAOYSA-N
MW476.59 g/mol
LogP6.43
Rot. Bonds10

About 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate

4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate (PubChem CID 10205836) has the molecular formula C29H33FN2O3 and a molecular weight of 476.59 g/mol. Its IUPAC name is 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate
PubChem CID10205836
Molecular FormulaC29H33FN2O3
Molecular Weight476.59 g/mol
Exact Mass476.25
IUPAC Name4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate
SMILESO=C(Nc1ccc(F)cc1)OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C29H33FN2O3/c30-25-13-15-26(16-14-25)31-29(33)34-22-8-7-19-32-20-17-27(18-21-32)35-28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27-28H,7-8,17-22H2,(H,31,33)
InChIKeyWLJQCKZUHRFXBV-UHFFFAOYSA-N
XLogP6.43
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.59
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate?
The IUPAC name of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate (CID 10205836) is 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate.
What is the SMILES notation for 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate?
The canonical SMILES for 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate is O=C(Nc1ccc(F)cc1)OCCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate?
The InChIKey is WLJQCKZUHRFXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN2O3/c30-25-13-15-26(16-14-25)31-29(33)34-22-8-7-19-32-20-17-27(18-21-32)35-28(23-9-3-1-4-10-23)24-11-5-2-6-12-24/h1-6,9-16,27-28H,7-8,17-22H2,(H,31,33).
What are the key properties of 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate?
4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate has a molecular weight of 476.59 g/mol, XLogP of 6.43, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzhydryloxypiperidin-1-yl)butyl N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 10205836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).