1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine

C50H88F8N4 — CID 157065437

IUPAC1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CC(F)(F)C2)CC1.CC(C)C1CCN(C2CC2(F)F)CC1.CC(C)C1CCN(C2CCC(F)(F)C2)CC1.CC(C)C1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H25F2N.C13H23F2N.C12H21F2N.C11H19F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13;1-10(2)11-4-7-16(8-5-11)12-3-6-13(14,15)9-12;1-9(2)10-3-5-15(6-4-10)11-7-12(13,14)8-11;1-8(2)9-3-5-14(6-4-9)10-7-11(10,12)13/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyABVAQJXQGRHNDR-UHFFFAOYSA-N
MW897.27 g/mol
LogP13.39
Rot. Bonds8

About 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine

1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine (PubChem CID 157065437) has the molecular formula C50H88F8N4 and a molecular weight of 897.27 g/mol. Its IUPAC name is 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine
PubChem CID157065437
Molecular FormulaC50H88F8N4
Molecular Weight897.27 g/mol
Exact Mass896.69
IUPAC Name1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CC(F)(F)C2)CC1.CC(C)C1CCN(C2CC2(F)F)CC1.CC(C)C1CCN(C2CCC(F)(F)C2)CC1.CC(C)C1CCN(C2CCC(F)(F)CC2)CC1
InChIInChI=1S/C14H25F2N.C13H23F2N.C12H21F2N.C11H19F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13;1-10(2)11-4-7-16(8-5-11)12-3-6-13(14,15)9-12;1-9(2)10-3-5-15(6-4-10)11-7-12(13,14)8-11;1-8(2)9-3-5-14(6-4-9)10-7-11(10,12)13/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3
InChIKeyABVAQJXQGRHNDR-UHFFFAOYSA-N
XLogP13.39
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500897.27
LogP ≤ 513.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

(3S,4S)-1-[3-[[(3S,4S)-1-cyclopentyl-3-propan-2-ylpiperidin-4-yl]methyl]cyclobutyl]-4-[3-[(3S,4S)-3-[1-[2-[[(3S)-3-fluoro-3-propan-2-ylpiperidin-1-yl]methyl]cyclopropyl]propan-2-yl]-4-methylpiperidin-1-yl]cyclobutyl]-3-propan-2-ylpiperidine
CID 134204225
4-Propan-2-yl-1-[[1-(trifluoromethyl)cyclobutyl]methyl]piperidine;4-propan-2-yl-1-[[1-(trifluoromethyl)cyclohexyl]methyl]piperidine;4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopentyl]methyl]piperidine;4-propan-2-yl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]piperidine
CID 162230268
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine);1,4-di(propan-2-yl)piperidine;1,4-di(propan-2-yl)-2-(trifluoromethyl)piperidine;ethane;2-methyl-1,4-di(propan-2-yl)piperidine
CID 165014394
Bis(2,2-difluoro-1,4-di(propan-2-yl)piperidine);bis(3,3-difluoro-1,4-di(propan-2-yl)piperidine)
CID 168410856
1-(Cyclobutylmethyl)-4-propan-2-ylpiperidine;1-(cyclohexylmethyl)-4-propan-2-ylpiperidine;1-(cyclopentylmethyl)-4-propan-2-ylpiperidine;1-(cyclopropylmethyl)-4-propan-2-ylpiperidine
CID 158649559
1-Cyclobutyl-4-propan-2-ylpiperidine;1-cyclohexyl-4-propan-2-ylpiperidine;1-cyclopentyl-4-propan-2-ylpiperidine;1-cyclopropyl-4-propan-2-ylpiperidine
CID 159930940

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?
The IUPAC name of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine (CID 157065437) is 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CC(F)(F)C2)CC1.CC(C)C1CCN(C2CC2(F)F)CC1.CC(C)C1CCN(C2CCC(F)(F)C2)CC1.CC(C)C1CCN(C2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?
The InChIKey is ABVAQJXQGRHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N.C13H23F2N.C12H21F2N.C11H19F2N/c1-11(2)12-5-9-17(10-6-12)13-3-7-14(15,16)8-4-13;1-10(2)11-4-7-16(8-5-11)12-3-6-13(14,15)9-12;1-9(2)10-3-5-15(6-4-10)11-7-12(13,14)8-11;1-8(2)9-3-5-14(6-4-9)10-7-11(10,12)13/h11-13H,3-10H2,1-2H3;10-12H,3-9H2,1-2H3;9-11H,3-8H2,1-2H3;8-10H,3-7H2,1-2H3.
What are the key properties of 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine?
1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine has a molecular weight of 897.27 g/mol, XLogP of 13.39, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclobutyl)-4-propan-2-ylpiperidine;1-(4,4-difluorocyclohexyl)-4-propan-2-ylpiperidine;1-(3,3-difluorocyclopentyl)-4-propan-2-ylpiperidine;1-(2,2-difluorocyclopropyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 157065437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).