[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

C17H24FNO2 — CID 97144601

IUPAC[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1
InChIInChI=1S/C17H24FNO2/c1-3-7-17(13-20)8-4-9-19(12-17)11-14-5-6-15(18)16(10-14)21-2/h3,5-6,10,20H,1,4,7-9,11-13H2,2H3/t17-/m1/s1
InChIKeyLKYWOONJYYZLSW-QGZVFWFLSA-N
MW293.38 g/mol
LogP2.98
Rot. Bonds6

About [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol

[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (PubChem CID 97144601) has the molecular formula C17H24FNO2 and a molecular weight of 293.38 g/mol. Its IUPAC name is [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
PubChem CID97144601
Molecular FormulaC17H24FNO2
Molecular Weight293.38 g/mol
Exact Mass293.18
IUPAC Name[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
SMILESC=CC[C@@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1
InChIInChI=1S/C17H24FNO2/c1-3-7-17(13-20)8-4-9-19(12-17)11-14-5-6-15(18)16(10-14)21-2/h3,5-6,10,20H,1,4,7-9,11-13H2,2H3/t17-/m1/s1
InChIKeyLKYWOONJYYZLSW-QGZVFWFLSA-N
XLogP2.98
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[[(3S)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 97123499
5-[[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-methoxybenzoic acid
CID 97123500
[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(3-methoxypropyl)piperidin-3-yl]methanol
CID 97124457
[5-[[(3R)-3-(hydroxymethyl)-3-prop-2-enylpiperidin-1-yl]methyl]-2-propan-2-yloxyphenyl]methanol
CID 97131931
[1-(1-benzofuran-5-ylmethyl)-3-prop-2-enylpiperidin-3-yl]methanol
CID 70783462
[(3R)-1-[(2-fluoro-5-methoxyphenyl)methyl]-3-[(4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 25488539
[1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyethyl)piperidin-3-yl]methanol
CID 72882518
[(3R)-3-prop-2-enyl-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methanol
CID 97146793
[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol
CID 86283580
4-[[(3R)-3-(hydroxymethyl)-3-[(2-methylphenyl)methyl]piperidin-1-yl]methyl]-2,6-dimethoxyphenol
CID 26410395
4-[(4-fluoro-3-methoxyphenyl)methyl]morpholine
CID 71190630
[(3S)-3-benzyl-1-[(2,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanol
CID 42215033

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol (CID 97144601) is [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is C=CC[C@@]1(CO)CCCN(Cc2ccc(F)c(OC)c2)C1.
What is the InChIKey of [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
The InChIKey is LKYWOONJYYZLSW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H24FNO2/c1-3-7-17(13-20)8-4-9-19(12-17)11-14-5-6-15(18)16(10-14)21-2/h3,5-6,10,20H,1,4,7-9,11-13H2,2H3/t17-/m1/s1.
What are the key properties of [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol?
[(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol has a molecular weight of 293.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-prop-2-enylpiperidin-3-yl]methanol is sourced from PubChem (CID 97144601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).