2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol

C17H24BrFN2O — CID 75383943

IUPAC2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCC(NCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C17H24BrFN2O/c18-13-4-5-15(19)12(10-13)11-20-14-6-8-21(9-7-14)16-2-1-3-17(16)22/h4-5,10,14,16-17,20,22H,1-3,6-9,11H2
InChIKeyJNHCCRICMGVJRY-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.06
Rot. Bonds4

About 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol

2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol (PubChem CID 75383943) has the molecular formula C17H24BrFN2O and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol
PubChem CID75383943
Molecular FormulaC17H24BrFN2O
Molecular Weight371.29 g/mol
Exact Mass370.11
IUPAC Name2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol
SMILESOC1CCCC1N1CCC(NCc2cc(Br)ccc2F)CC1
InChIInChI=1S/C17H24BrFN2O/c18-13-4-5-15(19)12(10-13)11-20-14-6-8-21(9-7-14)16-2-1-3-17(16)22/h4-5,10,14,16-17,20,22H,1-3,6-9,11H2
InChIKeyJNHCCRICMGVJRY-UHFFFAOYSA-N
XLogP3.06
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol?
The IUPAC name of 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol (CID 75383943) is 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol.
What is the SMILES notation for 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol?
The canonical SMILES for 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol is OC1CCCC1N1CCC(NCc2cc(Br)ccc2F)CC1.
What is the InChIKey of 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol?
The InChIKey is JNHCCRICMGVJRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O/c18-13-4-5-15(19)12(10-13)11-20-14-6-8-21(9-7-14)16-2-1-3-17(16)22/h4-5,10,14,16-17,20,22H,1-3,6-9,11H2.
What are the key properties of 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol?
2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol has a molecular weight of 371.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-bromo-2-fluorophenyl)methylamino]piperidin-1-yl]cyclopentan-1-ol is sourced from PubChem (CID 75383943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).