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

C20H37FN2O — CID 171723122

IUPAC(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
SMILESCC(C)C1CCN(C2CC(OC3CCN(C(C)C)CC3)C2)C[C@H]1F
InChIInChI=1S/C20H37FN2O/c1-14(2)19-7-10-23(13-20(19)21)16-11-18(12-16)24-17-5-8-22(9-6-17)15(3)4/h14-20H,5-13H2,1-4H3/t16?,18?,19?,20-/m1/s1
InChIKeyXNFWBVBZYBRGOS-WYDVDPGPSA-N
MW340.53 g/mol
LogP3.72
Rot. Bonds5

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

(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine (PubChem CID 171723122) has the molecular formula C20H37FN2O and a molecular weight of 340.53 g/mol. Its IUPAC name is (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
PubChem CID171723122
Molecular FormulaC20H37FN2O
Molecular Weight340.53 g/mol
Exact Mass340.29
IUPAC Name(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine
SMILESCC(C)C1CCN(C2CC(OC3CCN(C(C)C)CC3)C2)C[C@H]1F
InChIInChI=1S/C20H37FN2O/c1-14(2)19-7-10-23(13-20(19)21)16-11-18(12-16)24-17-5-8-22(9-6-17)15(3)4/h14-20H,5-13H2,1-4H3/t16?,18?,19?,20-/m1/s1
InChIKeyXNFWBVBZYBRGOS-WYDVDPGPSA-N
XLogP3.72
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.53
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]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

1-Tert-butyl-4-fluoro-4-[[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]methyl]piperidine
CID 146339636
1-(Fluoromethyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]methoxy]piperidine
CID 155582614
3-Fluoro-1-(3-methylbutyl)-4-[1-(2-methylpropyl)piperidin-4-yl]oxypiperidine
CID 156187209
1-[(1-Ethylpiperidin-4-yl)methyl]-3-fluoro-4-propan-2-yloxypiperidine
CID 156187671
4-[3-(4,4-Difluoro-3-methylbut-1-ynyl)cyclobutyl]oxy-1-[(1-methylpiperidin-4-yl)methyl]piperidine
CID 156242105
4-Fluoro-4-[[4-(3-methoxycyclobutyl)oxypiperidin-1-yl]methyl]-1-methylpiperidine
CID 156242327
1-(2,2-Difluoropropyl)-4-propan-2-ylpiperidine;1-propan-2-yl-4-(trifluoromethoxy)piperidine
CID 157479783
3-Fluoro-4-propan-2-yloxy-1-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 165116637
3-Fluoro-1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
CID 165372739
3-Fluoro-1-[[1-(3-methylbutyl)piperidin-4-yl]methyl]-4-propan-2-yloxypiperidine
CID 165372759
(3S,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
CID 166496531
(3R,4R)-3-fluoro-1-(3-methoxycyclobutyl)-4-propan-2-ylpiperidine
CID 166496578

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine?
The IUPAC name of (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine (CID 171723122) is (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine is CC(C)C1CCN(C2CC(OC3CCN(C(C)C)CC3)C2)C[C@H]1F.
What is the InChIKey of (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine?
The InChIKey is XNFWBVBZYBRGOS-WYDVDPGPSA-N. The full InChI is InChI=1S/C20H37FN2O/c1-14(2)19-7-10-23(13-20(19)21)16-11-18(12-16)24-17-5-8-22(9-6-17)15(3)4/h14-20H,5-13H2,1-4H3/t16?,18?,19?,20-/m1/s1.
What are the key properties of (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine?
(3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine has a molecular weight of 340.53 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-4-propan-2-yl-1-[3-(1-propan-2-ylpiperidin-4-yl)oxycyclobutyl]piperidine is sourced from PubChem (CID 171723122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).