(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine

C22H27FN2O — CID 125171194

IUPAC(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine
SMILESFc1ccccc1OC1CN(C[C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H27FN2O/c23-21-10-4-5-11-22(21)26-20-16-25(17-20)15-19-9-6-12-24(14-19)13-18-7-2-1-3-8-18/h1-5,7-8,10-11,19-20H,6,9,12-17H2/t19-/m1/s1
InChIKeySBAZFJQUMURECK-LJQANCHMSA-N
MW354.47 g/mol
LogP3.80
Rot. Bonds6

About (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine

(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine (PubChem CID 125171194) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine.

Molecular Properties

Compound Name(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine
PubChem CID125171194
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine
SMILESFc1ccccc1OC1CN(C[C@@H]2CCCN(Cc3ccccc3)C2)C1
InChIInChI=1S/C22H27FN2O/c23-21-10-4-5-11-22(21)26-20-16-25(17-20)15-19-9-6-12-24(14-19)13-18-7-2-1-3-8-18/h1-5,7-8,10-11,19-20H,6,9,12-17H2/t19-/m1/s1
InChIKeySBAZFJQUMURECK-LJQANCHMSA-N
XLogP3.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 71930473
1-benzyl-3-(chloromethyl)piperidine;hydrochloride
CID 53433579
1-[[5-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]thiophen-2-yl]methyl]pyrrolidine
CID 77078553
(3R)-1-benzyl-3-(3-chloropropyl)piperidine
CID 97166703
4-(1-benzylpyrrolidin-3-yl)oxy-3-fluoroaniline
CID 62916163
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
CID 59694689
CID 59694689
1-methyl-4-[[1-[(4-phenylphenyl)methyl]piperidin-3-yl]methyl]piperazine
CID 77081012
(1-benzylazepan-3-yl)methanamine
CID 15718476
[3-(2-fluorophenoxy)azetidin-1-yl]-[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97284449
1-benzyl-3-[(2-fluorophenyl)methyl]pyrrolidine
CID 10614560
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]-3-[(2-fluorophenoxy)methyl]piperidine
CID 95891510

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine?
The IUPAC name of (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine (CID 125171194) is (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine.
What is the SMILES notation for (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine?
The canonical SMILES for (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine is Fc1ccccc1OC1CN(C[C@@H]2CCCN(Cc3ccccc3)C2)C1.
What is the InChIKey of (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine?
The InChIKey is SBAZFJQUMURECK-LJQANCHMSA-N. The full InChI is InChI=1S/C22H27FN2O/c23-21-10-4-5-11-22(21)26-20-16-25(17-20)15-19-9-6-12-24(14-19)13-18-7-2-1-3-8-18/h1-5,7-8,10-11,19-20H,6,9,12-17H2/t19-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine?
(3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine has a molecular weight of 354.47 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-[[3-(2-fluorophenoxy)azetidin-1-yl]methyl]piperidine is sourced from PubChem (CID 125171194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).