[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol

C16H25FN2O — CID 79049543

IUPAC[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(Nc2cc(C)cc(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-3-6-19-7-4-16(12-20,5-8-19)18-15-10-13(2)9-14(17)11-15/h9-11,18,20H,3-8,12H2,1-2H3
InChIKeyJUDPTSWZJOMOLP-UHFFFAOYSA-N
MW280.39 g/mol
LogP2.78
Rot. Bonds5

About [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol

[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol (PubChem CID 79049543) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
PubChem CID79049543
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol
SMILESCCCN1CCC(CO)(Nc2cc(C)cc(F)c2)CC1
InChIInChI=1S/C16H25FN2O/c1-3-6-19-7-4-16(12-20,5-8-19)18-15-10-13(2)9-14(17)11-15/h9-11,18,20H,3-8,12H2,1-2H3
InChIKeyJUDPTSWZJOMOLP-UHFFFAOYSA-N
XLogP2.78
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049390
[4-(3-methylanilino)-1-propylazepan-4-yl]methanol
CID 65076521
[4-(3-chloroanilino)-1-propylpiperidin-4-yl]methanol
CID 61049744
[3-(3-fluoro-5-methylanilino)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanol
CID 79046102
[1-(3-fluoro-5-methylanilino)-3-methylcyclobutyl]methanol
CID 103564816
[1-(3-fluoro-5-methylanilino)-3,4-dimethylcyclohexyl]methanol
CID 79050341
[3-ethyl-1-(3-fluoro-5-methylanilino)cyclohexyl]methanol
CID 79049855
4-(3-fluoro-5-methylanilino)-1-methylpiperidine-4-carboxylic acid
CID 79049575
methyl 1-ethyl-4-(3-fluoro-5-methylanilino)piperidine-4-carboxylate
CID 79044565
[4-(propan-2-ylamino)-1-propylpiperidin-4-yl]methanol
CID 61049791
[3-(methylamino)-1-propylpyrrolidin-3-yl]methanol
CID 117012274
1-ethyl-4-(3-fluoro-5-methylanilino)azepane-4-carboxamide
CID 79044709

Frequently Asked Questions

What is the IUPAC name of [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol?
The IUPAC name of [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol (CID 79049543) is [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol.
What is the SMILES notation for [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol?
The canonical SMILES for [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol is CCCN1CCC(CO)(Nc2cc(C)cc(F)c2)CC1.
What is the InChIKey of [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol?
The InChIKey is JUDPTSWZJOMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-3-6-19-7-4-16(12-20,5-8-19)18-15-10-13(2)9-14(17)11-15/h9-11,18,20H,3-8,12H2,1-2H3.
What are the key properties of [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol?
[4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol has a molecular weight of 280.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-fluoro-5-methylanilino)-1-propylpiperidin-4-yl]methanol is sourced from PubChem (CID 79049543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).