(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol

C26H28FNO3 — CID 67939505

IUPAC(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol
SMILESO[C@H](CN1CCC(C2(c3ccc(F)cc3)OCCO2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H28FNO3/c27-22-10-8-20(9-11-22)26(30-16-17-31-26)21-12-14-28(15-13-21)18-25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21,25,29H,12-18H2/t25-/m1/s1
InChIKeyJJYQLBCOXQTFJV-RUZDIDTESA-N
MW421.51 g/mol
LogP4.62
Rot. Bonds5

About (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol

(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol (PubChem CID 67939505) has the molecular formula C26H28FNO3 and a molecular weight of 421.51 g/mol. Its IUPAC name is (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol.

Molecular Properties

Compound Name(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol
PubChem CID67939505
Molecular FormulaC26H28FNO3
Molecular Weight421.51 g/mol
Exact Mass421.21
IUPAC Name(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol
SMILESO[C@H](CN1CCC(C2(c3ccc(F)cc3)OCCO2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H28FNO3/c27-22-10-8-20(9-11-22)26(30-16-17-31-26)21-12-14-28(15-13-21)18-25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21,25,29H,12-18H2/t25-/m1/s1
InChIKeyJJYQLBCOXQTFJV-RUZDIDTESA-N
XLogP4.62
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.51
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol with MolForge

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Related Compounds

(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(1H-indol-3-yl)ethanol
CID 3806013
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044
(1R)-1-naphthalen-1-yl-2-[3-(1H-1,2,4-triazol-5-yl)morpholin-4-yl]ethanol
CID 154759292
1-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methylpiperidin-2-one
CID 104680358
1-(4-fluorophenyl)-2-(4-methoxypiperidin-1-yl)ethanol
CID 110883521
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 103619777
2-[4-(cyclohexylmethyl)piperazin-1-yl]-1-(2-fluorophenyl)ethanol
CID 110908424

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol?
The IUPAC name of (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol (CID 67939505) is (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol.
What is the SMILES notation for (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol?
The canonical SMILES for (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol is O[C@H](CN1CCC(C2(c3ccc(F)cc3)OCCO2)CC1)c1cccc2ccccc12.
What is the InChIKey of (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol?
The InChIKey is JJYQLBCOXQTFJV-RUZDIDTESA-N. The full InChI is InChI=1S/C26H28FNO3/c27-22-10-8-20(9-11-22)26(30-16-17-31-26)21-12-14-28(15-13-21)18-25(29)24-7-3-5-19-4-1-2-6-23(19)24/h1-11,21,25,29H,12-18H2/t25-/m1/s1.
What are the key properties of (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol?
(1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol has a molecular weight of 421.51 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[4-[2-(4-fluorophenyl)-1,3-dioxolan-2-yl]piperidin-1-yl]-1-naphthalen-1-ylethanol is sourced from PubChem (CID 67939505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).