3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

C22H42FN3 — CID 171723125

IUPAC3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)N1CCC(CN2CCC(C3CCN(C(C)C)CC3)C(F)C2)CC1
InChIInChI=1S/C22H42FN3/c1-17(2)25-11-5-19(6-12-25)15-24-10-9-21(22(23)16-24)20-7-13-26(14-8-20)18(3)4/h17-22H,5-16H2,1-4H3
InChIKeyFKAXBVLPDIIDSP-UHFFFAOYSA-N
MW367.60 g/mol
LogP3.89
Rot. Bonds5

About 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine

3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (PubChem CID 171723125) has the molecular formula C22H42FN3 and a molecular weight of 367.60 g/mol. Its IUPAC name is 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.

Molecular Properties

Compound Name3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
PubChem CID171723125
Molecular FormulaC22H42FN3
Molecular Weight367.60 g/mol
Exact Mass367.34
IUPAC Name3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
SMILESCC(C)N1CCC(CN2CCC(C3CCN(C(C)C)CC3)C(F)C2)CC1
InChIInChI=1S/C22H42FN3/c1-17(2)25-11-5-19(6-12-25)15-24-10-9-21(22(23)16-24)20-7-13-26(14-8-20)18(3)4/h17-22H,5-16H2,1-4H3
InChIKeyFKAXBVLPDIIDSP-UHFFFAOYSA-N
XLogP3.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine 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

Quinuclidine, 2-methyl-
CID 138444
3-Ethyl-1-azabicyclo[2.2.2]octane
CID 359210
Ethyl quinuclidine
CID 16736728
4,4-Difluoro-3-(5-fluoro-1-methylpiperidin-2-yl)-1-methyl-5-(1-methylpiperidin-2-yl)piperidine
CID 126708550
1-(1-Tert-butylpiperidin-4-yl)-4-fluoro-3,4,5-trimethylpiperidine
CID 129258302
4-[2-(4-Fluoropiperidin-1-yl)ethyl]-3,3-dimethyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidine
CID 130429287
4-[2-(4-Fluoropiperidin-1-yl)propan-2-yl]-2-methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 132158384
1-Tert-butyl-4-propan-2-ylpiperidine;1-(2,2-difluoropropyl)-4-propan-2-ylpiperidine;1-(2,2-dimethylpropyl)-4-propan-2-ylpiperidine
CID 144929218
3,3-Difluoro-4-[4-(2-methylpropyl)piperidin-1-yl]-1-propan-2-ylpiperidine
CID 154672559
4-Fluoro-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidine
CID 155129389
1-[(2R)-2,3-dimethylbutyl]-N-[(4S)-6-fluoro-4-methylhexyl]-N-methylpiperidin-4-amine
CID 155208499
4-Fluoro-3-propan-2-yl-1-azabicyclo[2.2.2]octane
CID 155397516

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The IUPAC name of 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine (CID 171723125) is 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine.
What is the SMILES notation for 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The canonical SMILES for 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is CC(C)N1CCC(CN2CCC(C3CCN(C(C)C)CC3)C(F)C2)CC1.
What is the InChIKey of 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
The InChIKey is FKAXBVLPDIIDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42FN3/c1-17(2)25-11-5-19(6-12-25)15-24-10-9-21(22(23)16-24)20-7-13-26(14-8-20)18(3)4/h17-22H,5-16H2,1-4H3.
What are the key properties of 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine?
3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine has a molecular weight of 367.60 g/mol, XLogP of 3.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1-propan-2-ylpiperidin-4-yl)-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine is sourced from PubChem (CID 171723125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).