1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine

C17H32F2N2 — CID 138612303

IUPAC1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine
SMILESCC(CC(C)N1CCC(F)(F)CC1)N1CCC(C)(C)CC1
InChIInChI=1S/C17H32F2N2/c1-14(20-9-5-16(3,4)6-10-20)13-15(2)21-11-7-17(18,19)8-12-21/h14-15H,5-13H2,1-4H3
InChIKeyWYFMDKIWEODVAU-UHFFFAOYSA-N
MW302.45 g/mol
LogP4.01
Rot. Bonds4

About 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine

1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine (PubChem CID 138612303) has the molecular formula C17H32F2N2 and a molecular weight of 302.45 g/mol. Its IUPAC name is 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine.

Molecular Properties

Compound Name1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine
PubChem CID138612303
Molecular FormulaC17H32F2N2
Molecular Weight302.45 g/mol
Exact Mass302.25
IUPAC Name1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine
SMILESCC(CC(C)N1CCC(F)(F)CC1)N1CCC(C)(C)CC1
InChIInChI=1S/C17H32F2N2/c1-14(20-9-5-16(3,4)6-10-20)13-15(2)21-11-7-17(18,19)8-12-21/h14-15H,5-13H2,1-4H3
InChIKeyWYFMDKIWEODVAU-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-[4-(trifluoromethyl)piperidin-1-yl]piperidine
CID 69929292
4,4-Difluoro-3,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidine
CID 129268217
1-(1-Tert-butylpiperidin-4-yl)-4,4-difluoro-3,5-dimethylpiperidine
CID 129268293
1-Propan-2-yl-4-[5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 132011540
4-Tert-butyl-1-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]propan-2-yl]piperidine
CID 134184115
2,2-difluoro-N-methyl-N-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]ethanamine
CID 134505369
4,4-Difluoro-1-propylpiperidine;4-methyl-1-(4,4,4-trifluorobutan-2-yl)piperidine
CID 144220997
1-(2,2-Difluoropropyl)-4-methylpiperidine;1-(3-fluoropropyl)-4-methylpiperidine
CID 144266433
1-[2-(4,4-Difluoropiperidin-1-yl)propyl]-4,4-dimethylpiperidine
CID 146177169
3-Tert-butyl-1-(2,2-difluoroethyl)-2-methylpiperidine;3-tert-butyl-2-methyl-1-(2,2,2-trifluoroethyl)piperidine
CID 153621469
3-Tert-butyl-2-methyl-1-(2,2,2-trifluoroethyl)piperidine;1-(2,2-difluoroethyl)-3-ethyl-2-methylpiperidine;propane
CID 153621533
1-[2-(3,3-Difluoro-1-propan-2-ylpiperidin-4-yl)ethyl]-4-(2-methylpropyl)piperazine
CID 154670474

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine?
The IUPAC name of 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine (CID 138612303) is 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine.
What is the SMILES notation for 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine?
The canonical SMILES for 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine is CC(CC(C)N1CCC(F)(F)CC1)N1CCC(C)(C)CC1.
What is the InChIKey of 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine?
The InChIKey is WYFMDKIWEODVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2/c1-14(20-9-5-16(3,4)6-10-20)13-15(2)21-11-7-17(18,19)8-12-21/h14-15H,5-13H2,1-4H3.
What are the key properties of 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine?
1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine has a molecular weight of 302.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4-difluoropiperidin-1-yl)pentan-2-yl]-4,4-dimethylpiperidine is sourced from PubChem (CID 138612303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).