1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol

C15H22FNO2 — CID 81116211

IUPAC1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H22FNO2/c1-15(19)7-10-17(11-8-15)9-6-14(18)12-4-2-3-5-13(12)16/h2-5,14,18-19H,6-11H2,1H3
InChIKeyYJOWKRPJZOXMOL-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.10
Rot. Bonds4

About 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol

1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol (PubChem CID 81116211) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
PubChem CID81116211
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(CCC(O)c2ccccc2F)CC1
InChIInChI=1S/C15H22FNO2/c1-15(19)7-10-17(11-8-15)9-6-14(18)12-4-2-3-5-13(12)16/h2-5,14,18-19H,6-11H2,1H3
InChIKeyYJOWKRPJZOXMOL-UHFFFAOYSA-N
XLogP2.10
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63159878
1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
1-(3-hydroxy-3-phenylpropyl)-4-methylazepan-4-ol
CID 107408828
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-[3-(ethylamino)-3-(2-fluorophenyl)propyl]-3-methylpyrrolidin-3-ol
CID 103358509
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
3-(3-ethyl-4-methylpiperazin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63619578
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
1-[3-hydroxy-3-(3-methylphenyl)propyl]-4-methylpiperidin-4-ol
CID 81116306
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
3-(4,4-dimethylazepan-1-yl)-1-(2-fluorophenyl)propan-1-amine
CID 65281767

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol (CID 81116211) is 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol is CC1(O)CCN(CCC(O)c2ccccc2F)CC1.
What is the InChIKey of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol?
The InChIKey is YJOWKRPJZOXMOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-15(19)7-10-17(11-8-15)9-6-14(18)12-4-2-3-5-13(12)16/h2-5,14,18-19H,6-11H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol?
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol has a molecular weight of 267.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 81116211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).