4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol

C22H27FN2O — CID 174809872

IUPAC4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol
SMILESOc1ccc(C2CCN(C3CCN(Cc4ccc(F)cc4)C3)CC2)cc1
InChIInChI=1S/C22H27FN2O/c23-20-5-1-17(2-6-20)15-24-12-11-21(16-24)25-13-9-19(10-14-25)18-3-7-22(26)8-4-18/h1-8,19,21,26H,9-16H2
InChIKeyQPLOHFCYZWQECZ-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.99
Rot. Bonds4

About 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol

4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol (PubChem CID 174809872) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol
PubChem CID174809872
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol
SMILESOc1ccc(C2CCN(C3CCN(Cc4ccc(F)cc4)C3)CC2)cc1
InChIInChI=1S/C22H27FN2O/c23-20-5-1-17(2-6-20)15-24-12-11-21(16-24)25-13-9-19(10-14-25)18-3-7-22(26)8-4-18/h1-8,19,21,26H,9-16H2
InChIKeyQPLOHFCYZWQECZ-UHFFFAOYSA-N
XLogP3.99
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 ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
(3S)-3-(4-fluorophenyl)-1-(thiophen-3-ylmethyl)pyrrolidine
CID 95869700
(3R)-3-(4-fluorophenyl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine
CID 99943201
1-[(4-fluorophenyl)methyl]-4-(4-phenylcyclohexyl)piperazine
CID 4677213
4-[[4-(4-fluorophenyl)azepan-1-yl]methyl]benzoic acid
CID 122032607
1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine
CID 174930098
1-benzyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperazine
CID 1334692
4-[[4-[(4-fluorophenyl)methyl]-3-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 45177405
5-[[3-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N,N-dimethylpyridin-2-amine
CID 77084244
[1-benzyl-4-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]pyrrolidin-3-yl]methanol
CID 18723469
1-[(4-fluorophenyl)methyl]pyrrolidine-3-carbonitrile
CID 83986149

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol?
The IUPAC name of 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol (CID 174809872) is 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol.
What is the SMILES notation for 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol?
The canonical SMILES for 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol is Oc1ccc(C2CCN(C3CCN(Cc4ccc(F)cc4)C3)CC2)cc1.
What is the InChIKey of 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol?
The InChIKey is QPLOHFCYZWQECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-20-5-1-17(2-6-20)15-24-12-11-21(16-24)25-13-9-19(10-14-25)18-3-7-22(26)8-4-18/h1-8,19,21,26H,9-16H2.
What are the key properties of 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol?
4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol has a molecular weight of 354.47 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol is sourced from PubChem (CID 174809872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).