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

C15H22FNO2 — CID 114682090

IUPAC1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCC(O)c2ccccc2F)CCC1O
InChIInChI=1S/C15H22FNO2/c1-11-10-17(8-6-14(11)18)9-7-15(19)12-4-2-3-5-13(12)16/h2-5,11,14-15,18-19H,6-10H2,1H3
InChIKeyQDMUUJPHAVMPGY-UHFFFAOYSA-N
MW267.34 g/mol
LogP1.95
Rot. Bonds4

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

1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol (PubChem CID 114682090) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
PubChem CID114682090
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
SMILESCC1CN(CCC(O)c2ccccc2F)CCC1O
InChIInChI=1S/C15H22FNO2/c1-11-10-17(8-6-14(11)18)9-7-15(19)12-4-2-3-5-13(12)16/h2-5,11,14-15,18-19H,6-10H2,1H3
InChIKeyQDMUUJPHAVMPGY-UHFFFAOYSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-3-piperidin-1-ylpropan-1-ol
CID 62644212
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
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
1-[3-amino-3-(2-methylphenyl)propyl]-3-methylpiperidin-4-ol
CID 114681980
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63160173
1-[(2,3-difluorophenyl)methyl]-3-methylpiperidin-4-ol
CID 114502450
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
3-(8-azaspiro[4.5]decan-8-yl)-1-(2-fluorophenyl)propan-1-ol
CID 63159878
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
1-(2,5-difluorophenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82074380

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol (CID 114682090) is 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol is CC1CN(CCC(O)c2ccccc2F)CCC1O.
What is the InChIKey of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol?
The InChIKey is QDMUUJPHAVMPGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-11-10-17(8-6-14(11)18)9-7-15(19)12-4-2-3-5-13(12)16/h2-5,11,14-15,18-19H,6-10H2,1H3.
What are the key properties of 1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol?
1-[3-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol has a molecular weight of 267.34 g/mol, XLogP of 1.95, 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]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114682090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).