(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol

C23H29FN2O2 — CID 174931072

IUPAC(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@H]2CCN([C@@H]3CCN(Cc4ccc(F)cc4)C3)C[C@@H]2O)cc1
InChIInChI=1S/C23H29FN2O2/c1-28-21-8-4-18(5-9-21)22-11-13-26(16-23(22)27)20-10-12-25(15-20)14-17-2-6-19(24)7-3-17/h2-9,20,22-23,27H,10-16H2,1H3/t20-,22-,23+/m1/s1
InChIKeyGLIHNWOZRDOFCX-MZYLBHOOSA-N
MW384.50 g/mol
LogP3.26
Rot. Bonds5

About (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol

(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol (PubChem CID 174931072) has the molecular formula C23H29FN2O2 and a molecular weight of 384.50 g/mol. Its IUPAC name is (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
PubChem CID174931072
Molecular FormulaC23H29FN2O2
Molecular Weight384.50 g/mol
Exact Mass384.22
IUPAC Name(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
SMILESCOc1ccc([C@H]2CCN([C@@H]3CCN(Cc4ccc(F)cc4)C3)C[C@@H]2O)cc1
InChIInChI=1S/C23H29FN2O2/c1-28-21-8-4-18(5-9-21)22-11-13-26(16-23(22)27)20-10-12-25(15-20)14-17-2-6-19(24)7-3-17/h2-9,20,22-23,27H,10-16H2,1H3/t20-,22-,23+/m1/s1
InChIKeyGLIHNWOZRDOFCX-MZYLBHOOSA-N
XLogP3.26
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
1-[(4-fluorophenyl)methyl]-3-[(3S,4S)-3-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidine-2-carbaldehyde
CID 174818502
1-[1-[[4-(4-methoxyphenoxy)phenyl]methyl]pyrrolidin-3-yl]piperazine;hydrochloride
CID 120968141
(3S,4S)-1-[1-[(4-fluorophenyl)methyl]pyrrol-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174930155
4-[1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]piperidin-4-yl]phenol
CID 174809872
1-[(3R)-1-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidine
CID 174930098
[(3R,3aR,7aS)-5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]-cyclobutylmethanone
CID 92596509
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine
CID 19832084
4-[[(3S,4S)-4-(4-fluorophenyl)-3-hydroxypiperidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 50982110
2-[(2S)-1-[(4-fluorophenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 51635847
(3S,4R)-1-cyclohexyl-4-(4-fluorophenyl)-3-[(4-methoxyphenoxy)methyl]piperidine;hydrochloride
CID 67842080

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol?
The IUPAC name of (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol (CID 174931072) is (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol?
The canonical SMILES for (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol is COc1ccc([C@H]2CCN([C@@H]3CCN(Cc4ccc(F)cc4)C3)C[C@@H]2O)cc1.
What is the InChIKey of (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol?
The InChIKey is GLIHNWOZRDOFCX-MZYLBHOOSA-N. The full InChI is InChI=1S/C23H29FN2O2/c1-28-21-8-4-18(5-9-21)22-11-13-26(16-23(22)27)20-10-12-25(15-20)14-17-2-6-19(24)7-3-17/h2-9,20,22-23,27H,10-16H2,1H3/t20-,22-,23+/m1/s1.
What are the key properties of (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol?
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol has a molecular weight of 384.50 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol is sourced from PubChem (CID 174931072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).