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

C21H39FN2 — CID 170954111

IUPAC4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(CC2(F)CCN(C3CC(C(C)C)C3)CC2)CC1
InChIInChI=1S/C21H39FN2/c1-16(2)18-5-9-23(10-6-18)15-21(22)7-11-24(12-8-21)20-13-19(14-20)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyDDQGKLUWNMICOU-UHFFFAOYSA-N
MW338.56 g/mol
LogP4.59
Rot. Bonds5

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

4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (PubChem CID 170954111) has the molecular formula C21H39FN2 and a molecular weight of 338.56 g/mol. Its IUPAC name is 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
PubChem CID170954111
Molecular FormulaC21H39FN2
Molecular Weight338.56 g/mol
Exact Mass338.31
IUPAC Name4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
SMILESCC(C)C1CCN(CC2(F)CCN(C3CC(C(C)C)C3)CC2)CC1
InChIInChI=1S/C21H39FN2/c1-16(2)18-5-9-23(10-6-18)15-21(22)7-11-24(12-8-21)20-13-19(14-20)17(3)4/h16-20H,5-15H2,1-4H3
InChIKeyDDQGKLUWNMICOU-UHFFFAOYSA-N
XLogP4.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.56
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The IUPAC name of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine (CID 170954111) is 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine.
What is the SMILES notation for 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The canonical SMILES for 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is CC(C)C1CCN(CC2(F)CCN(C3CC(C(C)C)C3)CC2)CC1.
What is the InChIKey of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
The InChIKey is DDQGKLUWNMICOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H39FN2/c1-16(2)18-5-9-23(10-6-18)15-21(22)7-11-24(12-8-21)20-13-19(14-20)17(3)4/h16-20H,5-15H2,1-4H3.
What are the key properties of 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine?
4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine has a molecular weight of 338.56 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-(3-propan-2-ylcyclobutyl)-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine is sourced from PubChem (CID 170954111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).