3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol

C18H28FNO — CID 63160173

IUPAC3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
SMILESCCC1(CC)CCN(CCC(O)c2ccccc2F)CC1
InChIInChI=1S/C18H28FNO/c1-3-18(4-2)10-13-20(14-11-18)12-9-17(21)15-7-5-6-8-16(15)19/h5-8,17,21H,3-4,9-14H2,1-2H3
InChIKeyKPBDYBCMGCIDRA-UHFFFAOYSA-N
MW293.43 g/mol
LogP4.15
Rot. Bonds6

About 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol

3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol (PubChem CID 63160173) has the molecular formula C18H28FNO and a molecular weight of 293.43 g/mol. Its IUPAC name is 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
PubChem CID63160173
Molecular FormulaC18H28FNO
Molecular Weight293.43 g/mol
Exact Mass293.22
IUPAC Name3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol
SMILESCCC1(CC)CCN(CCC(O)c2ccccc2F)CC1
InChIInChI=1S/C18H28FNO/c1-3-18(4-2)10-13-20(14-11-18)12-9-17(21)15-7-5-6-8-16(15)19/h5-8,17,21H,3-4,9-14H2,1-2H3
InChIKeyKPBDYBCMGCIDRA-UHFFFAOYSA-N
XLogP4.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(2-fluorophenyl)-3-hydroxypropyl]-4-methylpiperidin-4-ol
CID 81116211
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
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-(2-fluorophenyl)-3-hydroxypropyl]-3-methylpiperidin-4-ol
CID 114682090
1-(2-fluorophenyl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-ol
CID 112629223
1-(2-fluorophenyl)-3-[methyl(2-pyrrolidin-1-ylethyl)amino]propan-1-ol
CID 63210835
(1S)-1-(2-fluorophenyl)-2-[4-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]piperazin-1-yl]ethanol
CID 34179618
2-(aziridin-1-yl)-1-(2-fluorophenyl)ethanol
CID 82125307
2-(4-ethyl-1,4-diazepan-1-yl)-1-(2-fluorophenyl)ethanol
CID 111102980
3-(3,3-diethylpyrrolidin-1-yl)-1-(2-fluorophenyl)-2-methylpropan-1-amine
CID 115997005

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
The IUPAC name of 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol (CID 63160173) is 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol.
What is the SMILES notation for 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
The canonical SMILES for 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol is CCC1(CC)CCN(CCC(O)c2ccccc2F)CC1.
What is the InChIKey of 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
The InChIKey is KPBDYBCMGCIDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28FNO/c1-3-18(4-2)10-13-20(14-11-18)12-9-17(21)15-7-5-6-8-16(15)19/h5-8,17,21H,3-4,9-14H2,1-2H3.
What are the key properties of 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol?
3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol has a molecular weight of 293.43 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-diethylpiperidin-1-yl)-1-(2-fluorophenyl)propan-1-ol is sourced from PubChem (CID 63160173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).