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

C20H37F2N3 — CID 170952550

IUPAC1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)C1CC(N2CCC(CN3CCN(C(C)C)CC3)C(F)(F)C2)C1
InChIInChI=1S/C20H37F2N3/c1-15(2)17-11-19(12-17)25-6-5-18(20(21,22)14-25)13-23-7-9-24(10-8-23)16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyDOCMJSNHMRSZBP-UHFFFAOYSA-N
MW357.53 g/mol
LogP3.40
Rot. Bonds5

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

1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (PubChem CID 170952550) has the molecular formula C20H37F2N3 and a molecular weight of 357.53 g/mol. Its IUPAC name is 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
PubChem CID170952550
Molecular FormulaC20H37F2N3
Molecular Weight357.53 g/mol
Exact Mass357.30
IUPAC Name1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
SMILESCC(C)C1CC(N2CCC(CN3CCN(C(C)C)CC3)C(F)(F)C2)C1
InChIInChI=1S/C20H37F2N3/c1-15(2)17-11-19(12-17)25-6-5-18(20(21,22)14-25)13-23-7-9-24(10-8-23)16(3)4/h15-19H,5-14H2,1-4H3
InChIKeyDOCMJSNHMRSZBP-UHFFFAOYSA-N
XLogP3.40
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.53
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine (CID 170952550) is 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is CC(C)C1CC(N2CCC(CN3CCN(C(C)C)CC3)C(F)(F)C2)C1.
What is the InChIKey of 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
The InChIKey is DOCMJSNHMRSZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37F2N3/c1-15(2)17-11-19(12-17)25-6-5-18(20(21,22)14-25)13-23-7-9-24(10-8-23)16(3)4/h15-19H,5-14H2,1-4H3.
What are the key properties of 1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine?
1-[[3,3-difluoro-1-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine has a molecular weight of 357.53 g/mol, XLogP of 3.40, 5 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-(3-propan-2-ylcyclobutyl)piperidin-4-yl]methyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 170952550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).