4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride

C15H25FN2O — CID 176968506

IUPAC4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
SMILESCC1CCN(C2(C3CCN(C(=O)F)CC3)CC2)CC1
InChIInChI=1S/C15H25FN2O/c1-12-2-10-18(11-3-12)15(6-7-15)13-4-8-17(9-5-13)14(16)19/h12-13H,2-11H2,1H3
InChIKeyQVEPSUQLYUTHSZ-UHFFFAOYSA-N
MW268.38 g/mol
LogP3.05
Rot. Bonds2

About 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride

4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride (PubChem CID 176968506) has the molecular formula C15H25FN2O and a molecular weight of 268.38 g/mol. Its IUPAC name is 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride.

Molecular Properties

Compound Name4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
PubChem CID176968506
Molecular FormulaC15H25FN2O
Molecular Weight268.38 g/mol
Exact Mass268.20
IUPAC Name4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride
SMILESCC1CCN(C2(C3CCN(C(=O)F)CC3)CC2)CC1
InChIInChI=1S/C15H25FN2O/c1-12-2-10-18(11-3-12)15(6-7-15)13-4-8-17(9-5-13)14(16)19/h12-13H,2-11H2,1H3
InChIKeyQVEPSUQLYUTHSZ-UHFFFAOYSA-N
XLogP3.05
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-[1-(2-Fluoro-2-methylpropyl)piperidin-4-yl]piperidine-1-carbaldehyde
CID 177254207
[4-(1-Tert-butylpiperidin-4-yl)piperidin-1-yl]methanone;2-methylpropane;yttrium
CID 162471915
2-Methyl-1-[4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidin-1-yl]propan-1-one
CID 176739994
4-(1-Tert-butylpiperidin-4-yl)piperidine-1-carbaldehyde
CID 158606189

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride?
The IUPAC name of 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride (CID 176968506) is 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride.
What is the SMILES notation for 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride?
The canonical SMILES for 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride is CC1CCN(C2(C3CCN(C(=O)F)CC3)CC2)CC1.
What is the InChIKey of 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride?
The InChIKey is QVEPSUQLYUTHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN2O/c1-12-2-10-18(11-3-12)15(6-7-15)13-4-8-17(9-5-13)14(16)19/h12-13H,2-11H2,1H3.
What are the key properties of 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride?
4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride has a molecular weight of 268.38 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-methylpiperidin-1-yl)cyclopropyl]piperidine-1-carbonyl fluoride is sourced from PubChem (CID 176968506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).