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

C22H27FN2O — CID 16674059

IUPAC4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C22H27FN2O/c23-20-9-3-2-8-19(20)22(26)11-15-24(16-12-22)17-18-7-1-4-10-21(18)25-13-5-6-14-25/h1-4,7-10,26H,5-6,11-17H2
InChIKeyNLUXXNHWAXJNRN-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.91
Rot. Bonds4

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

4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol (PubChem CID 16674059) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
PubChem CID16674059
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol
SMILESOC1(c2ccccc2F)CCN(Cc2ccccc2N2CCCC2)CC1
InChIInChI=1S/C22H27FN2O/c23-20-9-3-2-8-19(20)22(26)11-15-24(16-12-22)17-18-7-1-4-10-21(18)25-13-5-6-14-25/h1-4,7-10,26H,5-6,11-17H2
InChIKeyNLUXXNHWAXJNRN-UHFFFAOYSA-N
XLogP3.91
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-Fluorophenyl)-2-[4-(2-fluorophenyl)piperazino]-1-ethanol
CID 2766998
4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666047
(1R)-4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666048
4-[(4aR,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-phenylbutan-1-ol
CID 44306179
3-(4-(3-(Bis(4-fluorophenyl)amino)propyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10344430
3-(4-(4-Fluorophenyl)piperazin-1-yl)-1-phenylpropan-1-ol
CID 10805222
(1R)-4-[(4aS,9bS)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666052
4-[(4aS,9bR)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 12666053
4-[(4aS,9bR)-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 13014402
3-[(4aS,9bS)-8-fluoro-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1,1-diphenylpropan-1-ol
CID 44299437
4-[(4aR,9bR)-8-fluoro-5-phenyl-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 44306063
4-[(4aR,9bR)-5-(4-fluorophenyl)-3,4,4a,9b-tetrahydro-1H-pyrido[4,3-b]indol-2-yl]-1-(4-fluorophenyl)butan-1-ol
CID 44306193

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The IUPAC name of 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol (CID 16674059) is 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The canonical SMILES for 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol is OC1(c2ccccc2F)CCN(Cc2ccccc2N2CCCC2)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
The InChIKey is NLUXXNHWAXJNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-20-9-3-2-8-19(20)22(26)11-15-24(16-12-22)17-18-7-1-4-10-21(18)25-13-5-6-14-25/h1-4,7-10,26H,5-6,11-17H2.
What are the key properties of 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol?
4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol has a molecular weight of 354.47 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-1-[(2-pyrrolidin-1-ylphenyl)methyl]piperidin-4-ol is sourced from PubChem (CID 16674059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).