(3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

C18H25FN2O3 — CID 91769031

IUPAC(3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)c(F)c1)N1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C18H25FN2O3/c19-15-11-14(3-4-16(15)23)17(24)21-9-5-18(13-22,6-10-21)12-20-7-1-2-8-20/h3-4,11,22-23H,1-2,5-10,12-13H2
InChIKeyYXMKPRRHEWGVFW-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.84
Rot. Bonds4

About (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone

(3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 91769031) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID91769031
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name(3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(O)c(F)c1)N1CCC(CO)(CN2CCCC2)CC1
InChIInChI=1S/C18H25FN2O3/c19-15-11-14(3-4-16(15)23)17(24)21-9-5-18(13-22,6-10-21)12-20-7-1-2-8-20/h3-4,11,22-23H,1-2,5-10,12-13H2
InChIKeyYXMKPRRHEWGVFW-UHFFFAOYSA-N
XLogP1.84
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-2-fluorophenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 91776249
(4-chloro-2-methylphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 91790736
2-[4-(3,4-difluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62823379
(3-fluoro-4-hydroxyphenyl)-(4-phenylpiperidin-1-yl)methanone
CID 146427603
(4,4-diethylpiperidin-1-yl)-(4-fluoro-3-methylphenyl)methanone
CID 63213419
(3-fluoro-4-hydroxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154863760
(3-chloro-4-fluorophenyl)-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]methanone
CID 10755891
(3-fluoro-4-hydroxyphenyl)-[(2R,4R)-4-hydroxy-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 154818101
azetidin-1-yl-(3-fluoro-4-iodophenyl)methanone
CID 139600419
(3,4-difluorophenyl)-[4-methyl-4-(methylamino)piperidin-1-yl]methanone
CID 115304505
1-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 91778733
2-[4-(4-hydroxy-3-methylbenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 107674849

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone (CID 91769031) is (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(O)c(F)c1)N1CCC(CO)(CN2CCCC2)CC1.
What is the InChIKey of (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is YXMKPRRHEWGVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O3/c19-15-11-14(3-4-16(15)23)17(24)21-9-5-18(13-22,6-10-21)12-20-7-1-2-8-20/h3-4,11,22-23H,1-2,5-10,12-13H2.
What are the key properties of (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone?
(3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-hydroxyphenyl)-[4-(hydroxymethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91769031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).