N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide

C9H17FN2O — CID 118297505

IUPACN-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide
SMILESCC1(F)CCN(CCNC=O)CC1
InChIInChI=1S/C9H17FN2O/c1-9(10)2-5-12(6-3-9)7-4-11-8-13/h8H,2-7H2,1H3,(H,11,13)
InChIKeyCRPVTBUWMMKIQI-UHFFFAOYSA-N
MW188.25 g/mol
LogP0.56
Rot. Bonds4

About N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide

N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide (PubChem CID 118297505) has the molecular formula C9H17FN2O and a molecular weight of 188.25 g/mol. Its IUPAC name is N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide
PubChem CID118297505
Molecular FormulaC9H17FN2O
Molecular Weight188.25 g/mol
Exact Mass188.13
IUPAC NameN-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide
SMILESCC1(F)CCN(CCNC=O)CC1
InChIInChI=1S/C9H17FN2O/c1-9(10)2-5-12(6-3-9)7-4-11-8-13/h8H,2-7H2,1H3,(H,11,13)
InChIKeyCRPVTBUWMMKIQI-UHFFFAOYSA-N
XLogP0.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide?
The IUPAC name of N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide (CID 118297505) is N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide?
The canonical SMILES for N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide is CC1(F)CCN(CCNC=O)CC1.
What is the InChIKey of N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide?
The InChIKey is CRPVTBUWMMKIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2O/c1-9(10)2-5-12(6-3-9)7-4-11-8-13/h8H,2-7H2,1H3,(H,11,13).
What are the key properties of N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide?
N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide has a molecular weight of 188.25 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluoro-4-methylpiperidin-1-yl)ethyl]formamide is sourced from PubChem (CID 118297505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).