1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol

C18H35FN2O — CID 137425990

IUPAC1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
SMILESCC(CCC(C)N1CCC(CCF)CC1)N1CCC(O)CC1
InChIInChI=1S/C18H35FN2O/c1-15(20-11-6-17(5-10-19)7-12-20)3-4-16(2)21-13-8-18(22)9-14-21/h15-18,22H,3-14H2,1-2H3
InChIKeyVZVHKEPWIDZYFB-UHFFFAOYSA-N
MW314.49 g/mol
LogP3.07
Rot. Bonds7

About 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol

1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol (PubChem CID 137425990) has the molecular formula C18H35FN2O and a molecular weight of 314.49 g/mol. Its IUPAC name is 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
PubChem CID137425990
Molecular FormulaC18H35FN2O
Molecular Weight314.49 g/mol
Exact Mass314.27
IUPAC Name1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol
SMILESCC(CCC(C)N1CCC(CCF)CC1)N1CCC(O)CC1
InChIInChI=1S/C18H35FN2O/c1-15(20-11-6-17(5-10-19)7-12-20)3-4-16(2)21-13-8-18(22)9-14-21/h15-18,22H,3-14H2,1-2H3
InChIKeyVZVHKEPWIDZYFB-UHFFFAOYSA-N
XLogP3.07
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1'-Isobutyl-1,4'-bipiperidin-4-yl)ethanol
CID 53193309
Ethane;2-(1-methylpiperidin-2-yl)ethanol;1-methyl-4-(trifluoromethyl)piperidine
CID 144877680
3,3-Difluoro-1-propan-2-ylpiperidin-4-ol;ethane;2-(1-methylpiperidin-3-yl)ethanol
CID 153592479
2-Methyl-1-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 155302705
1-[5-(4,4-Difluoropiperidin-1-yl)hexan-2-yl]piperidin-4-ol
CID 156455962
1-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]methyl]piperidin-4-ol
CID 157039324
[1-(4-Fluorocyclohexyl)piperidin-4-yl]-(1-propylpiperidin-4-yl)methanol
CID 163430502
1-[1-[(5S)-5-[(dimethylamino)methyl]-5-fluoro-1-propan-2-ylpiperidin-3-yl]propan-2-yl]piperidin-4-ol
CID 166682696
1-[(4-Fluoro-1-methylpiperidin-4-yl)methyl]piperidin-4-ol
CID 166834210
4,4-Difluoro-1-(2-methylpropyl)piperidine;ethane;1-(2-methylpropyl)piperidin-4-ol
CID 177223610
2,2-difluoro-6-methyl-6-azaspiro[2.5]octane;(2S,4S)-1,2-dimethylpiperidin-4-ol;ethane
CID 178097615
(3R,4S)-1-(3-ethylcyclobutyl)-3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)oxypiperidine
CID 178974797

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol?
The IUPAC name of 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol (CID 137425990) is 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol is CC(CCC(C)N1CCC(CCF)CC1)N1CCC(O)CC1.
What is the InChIKey of 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol?
The InChIKey is VZVHKEPWIDZYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35FN2O/c1-15(20-11-6-17(5-10-19)7-12-20)3-4-16(2)21-13-8-18(22)9-14-21/h15-18,22H,3-14H2,1-2H3.
What are the key properties of 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol?
1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol has a molecular weight of 314.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2-fluoroethyl)piperidin-1-yl]hexan-2-yl]piperidin-4-ol is sourced from PubChem (CID 137425990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).