4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride

C23H29ClF2N2O2 — CID 11154875

IUPAC4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride
SMILESCl.O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)NC1CCN(CCO)CC1
InChIInChI=1S/C23H28F2N2O2.ClH/c24-19-5-1-17(2-6-19)22(18-3-7-20(25)8-4-18)9-10-23(29)26-21-11-13-27(14-12-21)15-16-28;/h1-8,21-22,28H,9-16H2,(H,26,29);1H
InChIKeySIFBSJXDBJEBOU-UHFFFAOYSA-N
MW438.95 g/mol
LogP3.87
Rot. Bonds8

About 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride

4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride (PubChem CID 11154875) has the molecular formula C23H29ClF2N2O2 and a molecular weight of 438.95 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride
PubChem CID11154875
Molecular FormulaC23H29ClF2N2O2
Molecular Weight438.95 g/mol
Exact Mass438.19
IUPAC Name4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride
SMILESCl.O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)NC1CCN(CCO)CC1
InChIInChI=1S/C23H28F2N2O2.ClH/c24-19-5-1-17(2-6-19)22(18-3-7-20(25)8-4-18)9-10-23(29)26-21-11-13-27(14-12-21)15-16-28;/h1-8,21-22,28H,9-16H2,(H,26,29);1H
InChIKeySIFBSJXDBJEBOU-UHFFFAOYSA-N
XLogP3.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.95
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride?
The IUPAC name of 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride (CID 11154875) is 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride is Cl.O=C(CCC(c1ccc(F)cc1)c1ccc(F)cc1)NC1CCN(CCO)CC1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride?
The InChIKey is SIFBSJXDBJEBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F2N2O2.ClH/c24-19-5-1-17(2-6-19)22(18-3-7-20(25)8-4-18)9-10-23(29)26-21-11-13-27(14-12-21)15-16-28;/h1-8,21-22,28H,9-16H2,(H,26,29);1H.
What are the key properties of 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride?
4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride has a molecular weight of 438.95 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-N-[1-(2-hydroxyethyl)piperidin-4-yl]butanamide;hydrochloride is sourced from PubChem (CID 11154875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).