[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol

C18H28FNO3 — CID 97124457

IUPAC[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCC[C@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1
InChIInChI=1S/C18H28FNO3/c1-22-10-4-8-18(14-21)7-3-9-20(13-18)12-15-5-6-16(19)17(11-15)23-2/h5-6,11,21H,3-4,7-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyKFNMHZATQRCJAE-GOSISDBHSA-N
MW325.42 g/mol
LogP2.84
Rot. Bonds8

About [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol

[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol (PubChem CID 97124457) has the molecular formula C18H28FNO3 and a molecular weight of 325.42 g/mol. Its IUPAC name is [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
PubChem CID97124457
Molecular FormulaC18H28FNO3
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC Name[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
SMILESCOCCC[C@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1
InChIInChI=1S/C18H28FNO3/c1-22-10-4-8-18(14-21)7-3-9-20(13-18)12-15-5-6-16(19)17(11-15)23-2/h5-6,11,21H,3-4,7-10,12-14H2,1-2H3/t18-/m1/s1
InChIKeyKFNMHZATQRCJAE-GOSISDBHSA-N
XLogP2.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol (CID 97124457) is [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol is COCCC[C@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1.
What is the InChIKey of [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
The InChIKey is KFNMHZATQRCJAE-GOSISDBHSA-N. The full InChI is InChI=1S/C18H28FNO3/c1-22-10-4-8-18(14-21)7-3-9-20(13-18)12-15-5-6-16(19)17(11-15)23-2/h5-6,11,21H,3-4,7-10,12-14H2,1-2H3/t18-/m1/s1.
What are the key properties of [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol?
[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol has a molecular weight of 325.42 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 97124457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).