6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane

C21H38FN3 — CID 174276524

IUPAC6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCC1(CN2CC3CC(C2)N3CC2(F)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H38FN3/c1-4-5-20(6-7-20)15-23-13-18-12-19(14-23)25(18)16-21(22)8-10-24(11-9-21)17(2)3/h17-19H,4-16H2,1-3H3
InChIKeyTZKSOWBHLMVMAG-UHFFFAOYSA-N
MW351.55 g/mol
LogP3.54
Rot. Bonds7

About 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane

6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 174276524) has the molecular formula C21H38FN3 and a molecular weight of 351.55 g/mol. Its IUPAC name is 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
PubChem CID174276524
Molecular FormulaC21H38FN3
Molecular Weight351.55 g/mol
Exact Mass351.30
IUPAC Name6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCC1(CN2CC3CC(C2)N3CC2(F)CCN(C(C)C)CC2)CC1
InChIInChI=1S/C21H38FN3/c1-4-5-20(6-7-20)15-23-13-18-12-19(14-23)25(18)16-21(22)8-10-24(11-9-21)17(2)3/h17-19H,4-16H2,1-3H3
InChIKeyTZKSOWBHLMVMAG-UHFFFAOYSA-N
XLogP3.54
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.55
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane with MolForge

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

Launch Full Analysis

Related Compounds

7-fluoro-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-[(3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptan-6-yl)methyl]-2-azaspiro[3.5]nonane
CID 171748275
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174275793
1-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 170952005
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
7-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-2-iodo-7-azaspiro[3.5]nonane
CID 176563302
1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
6,6-difluoro-3-[[1-(3-methylbutyl)cyclopropyl]methyl]-3-azabicyclo[3.1.0]hexane
CID 178037636
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-6-azaspiro[2.6]nonane
CID 176562277
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675

Frequently Asked Questions

What is the IUPAC name of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane (CID 174276524) is 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane is CCCC1(CN2CC3CC(C2)N3CC2(F)CCN(C(C)C)CC2)CC1.
What is the InChIKey of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is TZKSOWBHLMVMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38FN3/c1-4-5-20(6-7-20)15-23-13-18-12-19(14-23)25(18)16-21(22)8-10-24(11-9-21)17(2)3/h17-19H,4-16H2,1-3H3.
What are the key properties of 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane?
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 351.55 g/mol, XLogP of 3.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 174276524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).