[1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol

C20H23ClFNO — CID 162430562

IUPAC[1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1(CCc2ccc(F)cc2)CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClFNO/c21-18-5-1-17(2-6-18)13-23-12-11-20(14-23,15-24)10-9-16-3-7-19(22)8-4-16/h1-8,24H,9-15H2
InChIKeyCTNQEPFOFFRHBF-UHFFFAOYSA-N
MW347.86 g/mol
LogP4.30
Rot. Bonds6

About [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol

[1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 162430562) has the molecular formula C20H23ClFNO and a molecular weight of 347.86 g/mol. Its IUPAC name is [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID162430562
Molecular FormulaC20H23ClFNO
Molecular Weight347.86 g/mol
Exact Mass347.15
IUPAC Name[1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol
SMILESOCC1(CCc2ccc(F)cc2)CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C20H23ClFNO/c21-18-5-1-17(2-6-18)13-23-12-11-20(14-23,15-24)10-9-16-3-7-19(22)8-4-16/h1-8,24H,9-15H2
InChIKeyCTNQEPFOFFRHBF-UHFFFAOYSA-N
XLogP4.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.86
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(2-Chloro-4-fluorobenzyl)-3-(4-fluorobenzyl)-3-piperidinyl]methanol
CID 23723479
[1-(4-Chlorobenzyl)-3-(2,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23723640
[4-(4-Chlorobenzyl)-1-(2-fluorobenzyl)-4-piperidinyl]methanol
CID 16188990
[1-(2-Chlorobenzyl)-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 16190448
[4-(4-Chlorobenzyl)-1-(3,4-difluorobenzyl)piperidin-4-yl]methanol
CID 16190744
[4-(4-Chlorobenzyl)-1-(3-phenylpropyl)piperidin-4-yl]methanol
CID 16191719
[3-(3-Chlorobenzyl)-1-(3,4-difluorobenzyl)-3-piperidinyl]methanol
CID 23724054
[1-(4-Chlorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91775783
[1-(4-Chloro-3-fluorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91785763
[(3S,4S)-4-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]pyrrolidin-3-yl]methanol
CID 91921213
[1-(4-Chloro-2-fluorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91767002
[1-(3-Chloro-5-fluorobenzyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-yl]methanol
CID 91767816

Frequently Asked Questions

What is the IUPAC name of [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol (CID 162430562) is [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol is OCC1(CCc2ccc(F)cc2)CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is CTNQEPFOFFRHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFNO/c21-18-5-1-17(2-6-18)13-23-12-11-20(14-23,15-24)10-9-16-3-7-19(22)8-4-16/h1-8,24H,9-15H2.
What are the key properties of [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol?
[1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 347.86 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-chlorophenyl)methyl]-3-[2-(4-fluorophenyl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 162430562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).