4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide

C17H22F4N2O3 — CID 51118830

IUPAC4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCC(CO)CC1
InChIInChI=1S/C17H22F4N2O3/c18-15(19)17(20,21)11-26-10-13-2-1-3-14(8-13)22-16(25)23-6-4-12(9-24)5-7-23/h1-3,8,12,15,24H,4-7,9-11H2,(H,22,25)
InChIKeyYIKVTDIAUMEANJ-UHFFFAOYSA-N
MW378.37 g/mol
LogP3.34
Rot. Bonds7

About 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide (PubChem CID 51118830) has the molecular formula C17H22F4N2O3 and a molecular weight of 378.37 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
PubChem CID51118830
Molecular FormulaC17H22F4N2O3
Molecular Weight378.37 g/mol
Exact Mass378.16
IUPAC Name4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCC(CO)CC1
InChIInChI=1S/C17H22F4N2O3/c18-15(19)17(20,21)11-26-10-13-2-1-3-14(8-13)22-16(25)23-6-4-12(9-24)5-7-23/h1-3,8,12,15,24H,4-7,9-11H2,(H,22,25)
InChIKeyYIKVTDIAUMEANJ-UHFFFAOYSA-N
XLogP3.34
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.37
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86877132
2,6-dimethyl-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]morpholine-4-carboxamide
CID 51118828
2-(furan-2-yl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 86962608
1-(1-phenylpiperidin-3-yl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86960333
4-(hydroxymethyl)-N-(3-methoxyphenyl)piperidine-1-carboxamide
CID 61320986
N-[3-(difluoromethoxy)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443095
3-(hydroxymethyl)-N-[3-(2,2,2-trifluoroethoxy)phenyl]pyrrolidine-1-carboxamide
CID 111443082
3-(hydroxymethyl)-N-[4-(phenylmethoxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 111475189
N-[3-(ethylsulfanylmethyl)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111475142
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
tert-butyl N-[1-[[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]carbamoyl]cyclopentyl]carbamate
CID 86883194
1-(4-fluorophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]triazole-4-carboxamide
CID 86881382

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide (CID 51118830) is 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCC(CO)CC1.
What is the InChIKey of 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is YIKVTDIAUMEANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N2O3/c18-15(19)17(20,21)11-26-10-13-2-1-3-14(8-13)22-16(25)23-6-4-12(9-24)5-7-23/h1-3,8,12,15,24H,4-7,9-11H2,(H,22,25).
What are the key properties of 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 378.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 51118830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).