(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine

C19H22FNO — CID 54239492

IUPAC(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-22-18-8-2-14(3-9-18)12-16-13-21-11-10-19(16)15-4-6-17(20)7-5-15/h2-9,16,19,21H,10-13H2,1H3/t16-,19+/m0/s1
InChIKeyQOZJKJVBRZCXPF-QFBILLFUSA-N
MW299.39 g/mol
LogP3.77
Rot. Bonds4

About (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine

(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine (PubChem CID 54239492) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine.

Molecular Properties

Compound Name(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
PubChem CID54239492
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
SMILESCOc1ccc(C[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C19H22FNO/c1-22-18-8-2-14(3-9-18)12-16-13-21-11-10-19(16)15-4-6-17(20)7-5-15/h2-9,16,19,21H,10-13H2,1H3/t16-,19+/m0/s1
InChIKeyQOZJKJVBRZCXPF-QFBILLFUSA-N
XLogP3.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-4-(4-methoxyphenyl)piperidine
CID 79433103
4-(4-fluorophenyl)-3-[(6-methoxynaphthalen-2-yl)methoxy]piperidine
CID 22126304
4-[(4-methoxyphenyl)methyl]piperidin-3-amine
CID 84787592
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
[4-(4-fluorophenyl)piperidin-3-yl]methanamine
CID 82611721
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
4-(4-fluorophenyl)-3-[(3-methoxy-4-phenylmethoxyphenoxy)methyl]piperidine
CID 53405948
(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
CID 139721977
(3S,4R)-4-methoxy-3-[(4-methoxyphenyl)methyl]piperidine;2,2,2-trifluoroacetic acid
CID 127021374
(3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)piperidine
CID 124523934
(3R,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-methoxyphenyl)piperidine;hydrochloride
CID 131708127
3-[(4-fluorophenyl)methyl]-4-methoxypyrrolidine
CID 84734360

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine?
The IUPAC name of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine (CID 54239492) is (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine.
What is the SMILES notation for (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine?
The canonical SMILES for (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine is COc1ccc(C[C@H]2CNCC[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine?
The InChIKey is QOZJKJVBRZCXPF-QFBILLFUSA-N. The full InChI is InChI=1S/C19H22FNO/c1-22-18-8-2-14(3-9-18)12-16-13-21-11-10-19(16)15-4-6-17(20)7-5-15/h2-9,16,19,21H,10-13H2,1H3/t16-,19+/m0/s1.
What are the key properties of (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine?
(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine has a molecular weight of 299.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine is sourced from PubChem (CID 54239492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).