2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

C22H25ClFNO — CID 45261726

IUPAC2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FNO.ClH/c23-19-8-5-16(6-9-19)15-24-13-11-18(12-14-24)21-10-7-17-3-1-2-4-20(17)22(21)25;/h1-6,8-9,18,21H,7,10-15H2;1H
InChIKeyXIXSLDMOEJTCCQ-UHFFFAOYSA-N
MW373.90 g/mol
LogP4.90
Rot. Bonds3

About 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride

2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (PubChem CID 45261726) has the molecular formula C22H25ClFNO and a molecular weight of 373.90 g/mol. Its IUPAC name is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
PubChem CID45261726
Molecular FormulaC22H25ClFNO
Molecular Weight373.90 g/mol
Exact Mass373.16
IUPAC Name2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride
SMILESCl.O=C1c2ccccc2CCC1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H24FNO.ClH/c23-19-8-5-16(6-9-19)15-24-13-11-18(12-14-24)21-10-7-17-3-1-2-4-20(17)22(21)25;/h1-6,8-9,18,21H,7,10-15H2;1H
InChIKeyXIXSLDMOEJTCCQ-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.90
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The IUPAC name of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride (CID 45261726) is 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride.
What is the SMILES notation for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The canonical SMILES for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is Cl.O=C1c2ccccc2CCC1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
The InChIKey is XIXSLDMOEJTCCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO.ClH/c23-19-8-5-16(6-9-19)15-24-13-11-18(12-14-24)21-10-7-17-3-1-2-4-20(17)22(21)25;/h1-6,8-9,18,21H,7,10-15H2;1H.
What are the key properties of 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride?
2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride has a molecular weight of 373.90 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3,4-dihydro-2H-naphthalen-1-one;hydrochloride is sourced from PubChem (CID 45261726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).