1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol

C23H30FNO3 — CID 138959567

IUPAC1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CN1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FNO3/c1-16-4-3-5-17(2)23(16)28-15-21(26)14-25-12-10-19(11-13-25)22(27)18-6-8-20(24)9-7-18/h3-9,19,21-22,26-27H,10-15H2,1-2H3
InChIKeyOGQUKKCJHGPVQV-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.63
Rot. Bonds7

About 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol

1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol (PubChem CID 138959567) has the molecular formula C23H30FNO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
PubChem CID138959567
Molecular FormulaC23H30FNO3
Molecular Weight387.50 g/mol
Exact Mass387.22
IUPAC Name1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol
SMILESCc1cccc(C)c1OCC(O)CN1CCC(C(O)c2ccc(F)cc2)CC1
InChIInChI=1S/C23H30FNO3/c1-16-4-3-5-17(2)23(16)28-15-21(26)14-25-12-10-19(11-13-25)22(27)18-6-8-20(24)9-7-18/h3-9,19,21-22,26-27H,10-15H2,1-2H3
InChIKeyOGQUKKCJHGPVQV-UHFFFAOYSA-N
XLogP3.63
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-phenoxypropan-2-ol
CID 138959633
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol
CID 138959573
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(4-methoxyphenoxy)propan-2-ol;hydrochloride
CID 138959584
1-[2-[3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 138959623
1-(2,6-dimethylphenoxy)-3-[4-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]piperazin-1-yl]propan-2-ol
CID 23739744
1-(2,6-dimethylphenoxy)-3-(4-methylpiperidin-1-yl)propan-2-ol chloride
CID 21237803
1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 138959643
(2S)-1-(2,6-dimethylphenoxy)-3-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]propan-2-ol
CID 124725003
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-3-(2,6-dimethylphenoxy)propan-2-ol
CID 110900550
1-[3-(2,6-dimethylphenoxy)-2-hydroxypropyl]-N,N-dimethylpiperidine-4-carboxamide
CID 110882096
1-(2,6-dimethylphenoxy)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 2866483
1-(2,6-dimethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2882652

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol (CID 138959567) is 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol is Cc1cccc(C)c1OCC(O)CN1CCC(C(O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol?
The InChIKey is OGQUKKCJHGPVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO3/c1-16-4-3-5-17(2)23(16)28-15-21(26)14-25-12-10-19(11-13-25)22(27)18-6-8-20(24)9-7-18/h3-9,19,21-22,26-27H,10-15H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol?
1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol has a molecular weight of 387.50 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenoxy)-3-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 138959567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).