1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol

C15H22FNO2 — CID 3659665

IUPAC1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)COc2ccccc2F)C1
InChIInChI=1S/C15H22FNO2/c1-12-5-4-8-17(9-12)10-13(18)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3
InChIKeyAKWNZXNKNCQAIP-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol

1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol (PubChem CID 3659665) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
PubChem CID3659665
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol
SMILESCC1CCCN(CC(O)COc2ccccc2F)C1
InChIInChI=1S/C15H22FNO2/c1-12-5-4-8-17(9-12)10-13(18)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3
InChIKeyAKWNZXNKNCQAIP-UHFFFAOYSA-N
XLogP2.30
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-fluorophenoxy)propan-2-ol
CID 27044185
1-(2-fluorophenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol;hydrochloride
CID 45126222
(2R)-1-(2-fluorophenoxy)-3-[(3S)-3-(methylsulfanylmethyl)piperidin-1-yl]propan-2-ol
CID 124888330
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-phenoxypropan-2-ol
CID 7447463
(2S)-1-(2,4-dichlorophenoxy)-3-[(3R)-3-methylpiperidin-1-yl]propan-2-ol
CID 6560044
(2S)-1-[(3S)-3-methylpiperidin-1-yl]-3-(4-phenylphenoxy)propan-2-ol
CID 51422999
1-(3-methylpiperidin-1-yl)-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 16798660
(3S)-1-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]-3-methylpiperidine
CID 2182375
(2R)-1-[2-[(3S)-3-methylpiperidin-1-yl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 97243448
1-[4-[2-hydroxy-3-(3-methylpiperidin-1-yl)propoxy]-3-methoxyphenyl]ethanone
CID 17472543
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
(2R)-1-(2-fluorophenoxy)-3-[(2R,6S)-2-methyl-6-phenylmorpholin-4-yl]propan-2-ol
CID 100899686

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol?
The IUPAC name of 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol (CID 3659665) is 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol.
What is the SMILES notation for 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol?
The canonical SMILES for 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol is CC1CCCN(CC(O)COc2ccccc2F)C1.
What is the InChIKey of 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol?
The InChIKey is AKWNZXNKNCQAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12-5-4-8-17(9-12)10-13(18)11-19-15-7-3-2-6-14(15)16/h2-3,6-7,12-13,18H,4-5,8-11H2,1H3.
What are the key properties of 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol?
1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol has a molecular weight of 267.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-3-(3-methylpiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 3659665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).