4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride

C22H28ClFN2O — CID 118741798

IUPAC4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C22H27FN2O.ClH/c23-20-9-7-19(8-10-20)22(26)11-15-24(16-12-22)17-18-5-1-2-6-21(18)25-13-3-4-14-25;/h1-2,5-10,26H,3-4,11-17H2;1H
InChIKeyKESDMJFGYVXKNT-UHFFFAOYSA-N
MW390.93 g/mol
LogP4.33
Rot. Bonds4

About 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride

4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride (PubChem CID 118741798) has the molecular formula C22H28ClFN2O and a molecular weight of 390.93 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride
PubChem CID118741798
Molecular FormulaC22H28ClFN2O
Molecular Weight390.93 g/mol
Exact Mass390.19
IUPAC Name4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride
SMILESCl.OC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C22H27FN2O.ClH/c23-20-9-7-19(8-10-20)22(26)11-15-24(16-12-22)17-18-5-1-2-6-21(18)25-13-3-4-14-25;/h1-2,5-10,26H,3-4,11-17H2;1H
InChIKeyKESDMJFGYVXKNT-UHFFFAOYSA-N
XLogP4.33
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.93
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride?
The IUPAC name of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride (CID 118741798) is 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride?
The canonical SMILES for 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride is Cl.OC1(c2ccc(F)cc2)CCN(Cc2ccccc2N2CCCC2)CC1.
What is the InChIKey of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride?
The InChIKey is KESDMJFGYVXKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O.ClH/c23-20-9-7-19(8-10-20)22(26)11-15-24(16-12-22)17-18-5-1-2-6-21(18)25-13-3-4-14-25;/h1-2,5-10,26H,3-4,11-17H2;1H.
What are the key properties of 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride?
4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride has a molecular weight of 390.93 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol;hydrochloride is sourced from PubChem (CID 118741798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).