(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine

C19H36F2N2 — CID 177134647

IUPAC(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
SMILESCC(C)C1CCN([C@@H]2CCN(CCC(C)(C)C)CC2(F)F)CC1
InChIInChI=1S/C19H36F2N2/c1-15(2)16-6-11-23(12-7-16)17-8-10-22(14-19(17,20)21)13-9-18(3,4)5/h15-17H,6-14H2,1-5H3/t17-/m1/s1
InChIKeyAOLWCIAAMJSHIQ-QGZVFWFLSA-N
MW330.51 g/mol
LogP4.50
Rot. Bonds4

About (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine

(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine (PubChem CID 177134647) has the molecular formula C19H36F2N2 and a molecular weight of 330.51 g/mol. Its IUPAC name is (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine.

Molecular Properties

Compound Name(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
PubChem CID177134647
Molecular FormulaC19H36F2N2
Molecular Weight330.51 g/mol
Exact Mass330.28
IUPAC Name(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
SMILESCC(C)C1CCN([C@@H]2CCN(CCC(C)(C)C)CC2(F)F)CC1
InChIInChI=1S/C19H36F2N2/c1-15(2)16-6-11-23(12-7-16)17-8-10-22(14-19(17,20)21)13-9-18(3,4)5/h15-17H,6-14H2,1-5H3/t17-/m1/s1
InChIKeyAOLWCIAAMJSHIQ-QGZVFWFLSA-N
XLogP4.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
CID 170397196
1-[3,3-difluoro-1-(2-methoxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine
CID 177062240
1-butan-2-yl-4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazine
CID 176558852
[(4R)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidin-1-yl]-(1-propan-2-ylazetidin-3-yl)methanone
CID 176796831
1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
CID 58395354
2,2-dimethyl-4-(4-propan-2-ylpiperidin-1-yl)butanenitrile
CID 103925448
1-[4-[1-(3,3-difluoro-1-propylpiperidin-4-yl)azetidin-3-yl]piperazin-1-yl]-2-methylbutan-1-one
CID 176559863
1-(2-bromoethyl)-4-propan-2-ylpiperidine
CID 103501528
1-[3,3-difluoro-1-(2-propan-2-yloxyethyl)piperidin-4-yl]-4-(2-propan-2-yloxyethyl)piperazine;ethane;1-[4-[[4-(2-ethoxyethyl)piperazin-1-yl]methyl]piperidin-1-yl]propan-2-one
CID 177178642
3-bromo-1-(3,3-dimethylbutyl)pyrrolidine
CID 80676426

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The IUPAC name of (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine (CID 177134647) is (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine.
What is the SMILES notation for (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The canonical SMILES for (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine is CC(C)C1CCN([C@@H]2CCN(CCC(C)(C)C)CC2(F)F)CC1.
What is the InChIKey of (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
The InChIKey is AOLWCIAAMJSHIQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H36F2N2/c1-15(2)16-6-11-23(12-7-16)17-8-10-22(14-19(17,20)21)13-9-18(3,4)5/h15-17H,6-14H2,1-5H3/t17-/m1/s1.
What are the key properties of (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine?
(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine has a molecular weight of 330.51 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine is sourced from PubChem (CID 177134647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).