N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide

C9H16F2N2O2 — CID 104858649

IUPACN-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)CO)N1CCCCC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,7-14)6-12-8(15)13-4-2-1-3-5-13/h14H,1-7H2,(H,12,15)
InChIKeyYVRQMWDAMJBUSU-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.81
Rot. Bonds3

About N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide (PubChem CID 104858649) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide
PubChem CID104858649
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide
SMILESO=C(NCC(F)(F)CO)N1CCCCC1
InChIInChI=1S/C9H16F2N2O2/c10-9(11,7-14)6-12-8(15)13-4-2-1-3-5-13/h14H,1-7H2,(H,12,15)
InChIKeyYVRQMWDAMJBUSU-UHFFFAOYSA-N
XLogP0.81
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide (CID 104858649) is N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide is O=C(NCC(F)(F)CO)N1CCCCC1.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide?
The InChIKey is YVRQMWDAMJBUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-9(11,7-14)6-12-8(15)13-4-2-1-3-5-13/h14H,1-7H2,(H,12,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide has a molecular weight of 222.23 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)piperidine-1-carboxamide is sourced from PubChem (CID 104858649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).