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

C20H37F2N3 — CID 171748293

IUPAC1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CCC(N3CCN(C(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3/c1-16(2)13-19(6-7-19)14-23-8-5-18(20(21,22)15-23)25-11-9-24(10-12-25)17(3)4/h16-18H,5-15H2,1-4H3
InChIKeyHYBGMIQRDTUFDA-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.55
Rot. Bonds6

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

1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (PubChem CID 171748293) has the molecular formula C20H37F2N3 and a molecular weight of 357.53 g/mol. Its IUPAC name is 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
PubChem CID171748293
Molecular FormulaC20H37F2N3
Molecular Weight357.53 g/mol
Exact Mass357.30
IUPAC Name1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
SMILESCC(C)CC1(CN2CCC(N3CCN(C(C)C)CC3)C(F)(F)C2)CC1
InChIInChI=1S/C20H37F2N3/c1-16(2)13-19(6-7-19)14-23-8-5-18(20(21,22)15-23)25-11-9-24(10-12-25)17(3)4/h16-18H,5-15H2,1-4H3
InChIKeyHYBGMIQRDTUFDA-UHFFFAOYSA-N
XLogP3.55
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine (CID 171748293) is 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is CC(C)CC1(CN2CCC(N3CCN(C(C)C)CC3)C(F)(F)C2)CC1.
What is the InChIKey of 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
The InChIKey is HYBGMIQRDTUFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2N3/c1-16(2)13-19(6-7-19)14-23-8-5-18(20(21,22)15-23)25-11-9-24(10-12-25)17(3)4/h16-18H,5-15H2,1-4H3.
What are the key properties of 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine?
1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine has a molecular weight of 357.53 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,3-difluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 171748293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).