(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol

C17H24FNO2 — CID 70717089

IUPAC(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
SMILESCOc1ccc(F)cc1CN1CC[C@@](O)(C2CC2)[C@H](C)C1
InChIInChI=1S/C17H24FNO2/c1-12-10-19(8-7-17(12,20)14-3-4-14)11-13-9-15(18)5-6-16(13)21-2/h5-6,9,12,14,20H,3-4,7-8,10-11H2,1-2H3/t12-,17+/m1/s1
InChIKeyXQRHKLSZDILJOE-PXAZEXFGSA-N
MW293.38 g/mol
LogP2.82
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol

(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol (PubChem CID 70717089) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
PubChem CID70717089
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
SMILESCOc1ccc(F)cc1CN1CC[C@@](O)(C2CC2)[C@H](C)C1
InChIInChI=1S/C17H24FNO2/c1-12-10-19(8-7-17(12,20)14-3-4-14)11-13-9-15(18)5-6-16(13)21-2/h5-6,9,12,14,20H,3-4,7-8,10-11H2,1-2H3/t12-,17+/m1/s1
InChIKeyXQRHKLSZDILJOE-PXAZEXFGSA-N
XLogP2.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol with MolForge

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Related Compounds

(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
(3S,4R)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
CID 56752836
(3R,4S)-3-benzyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-4-methylpiperidin-4-ol
CID 133119318
(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol
CID 72910665
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
(3R,4R)-1-[(2-ethoxyphenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72880822
4-ethyl-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 63126703
4-(4-fluorophenyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 171667469
2-[1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 56910155
2-[(3R)-1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-yl]benzoic acid
CID 95725201
(3R,4R)-4-cyclopropyl-1-[(3-ethenylphenyl)methyl]-3-methylpiperidin-4-ol
CID 72900225

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol (CID 70717089) is (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol is COc1ccc(F)cc1CN1CC[C@@](O)(C2CC2)[C@H](C)C1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is XQRHKLSZDILJOE-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-12-10-19(8-7-17(12,20)14-3-4-14)11-13-9-15(18)5-6-16(13)21-2/h5-6,9,12,14,20H,3-4,7-8,10-11H2,1-2H3/t12-,17+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol?
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 293.38 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 70717089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).