1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine

C21H40F2N4 — CID 171723127

IUPAC1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCC(CN2CCC(N3CCN(C(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C21H40F2N4/c1-17(2)25-9-5-19(6-10-25)15-24-8-7-20(21(22,23)16-24)27-13-11-26(12-14-27)18(3)4/h17-20H,5-16H2,1-4H3
InChIKeyAVLGVYDQQMBUGW-UHFFFAOYSA-N
MW386.58 g/mol
LogP2.84
Rot. Bonds5

About 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine

1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 171723127) has the molecular formula C21H40F2N4 and a molecular weight of 386.58 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID171723127
Molecular FormulaC21H40F2N4
Molecular Weight386.58 g/mol
Exact Mass386.32
IUPAC Name1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCC(CN2CCC(N3CCN(C(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C21H40F2N4/c1-17(2)25-9-5-19(6-10-25)15-24-8-7-20(21(22,23)16-24)27-13-11-26(12-14-27)18(3)4/h17-20H,5-16H2,1-4H3
InChIKeyAVLGVYDQQMBUGW-UHFFFAOYSA-N
XLogP2.84
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.58
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine with MolForge

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Related Compounds

(9aS)-8-methyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 98741869
1-propan-2-yl-4-[3-[(3S)-3-(trifluoromethyl)piperidin-1-yl]propyl]piperazine
CID 99837117
2-[2-(4-Fluoropiperidin-1-yl)propyl]-1-methyl-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 90823912
5-Fluoro-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 123442953
4,4-Difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
CID 126708550
1-Propan-2-yl-4-[5-[4-(trifluoromethyl)piperidin-1-yl]hexan-2-yl]piperazine
CID 132011540
5-Fluoro-1-methyl-4-[4-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]piperidin-3-amine
CID 134340085
1-butan-2-yl-4-methylpiperidine;N-ethyl-1-fluoro-N-propylpropan-2-amine;1-ethyl-4-methylpiperidine;1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-methylpiperidine
CID 143051197
ethane;1-methyl-4-(3,3,3-trifluoropropyl)piperazine;N,N,1-trimethylpiperidin-4-amine
CID 143535301
2-(1-Fluoropropyl)-1-(2-methylpropyl)-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 154669985
4-[2-(1-Ethylpiperidin-4-yl)ethyl]-2-(1-fluoropropyl)-1-(2-methylpropyl)piperazine
CID 154670214
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-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (CID 171723127) is 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)N1CCC(CN2CCC(N3CCN(C(C)C)CC3)C(F)(F)C2)CC1.
What is the InChIKey of 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is AVLGVYDQQMBUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40F2N4/c1-17(2)25-9-5-19(6-10-25)15-24-8-7-20(21(22,23)16-24)27-13-11-26(12-14-27)18(3)4/h17-20H,5-16H2,1-4H3.
What are the key properties of 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 386.58 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171723127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).