tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid

C18H32FN3O2 — CID 118454530

IUPACtert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(C2CCN(C3CC3)CC2)CC1F
InChIInChI=1S/C18H32FN3O2/c1-18(2,3)22(17(23)24)16-8-11-21(12-15(16)19)14-6-9-20(10-7-14)13-4-5-13/h13-16H,4-12H2,1-3H3,(H,23,24)
InChIKeySWIFQKHHABHIAF-UHFFFAOYSA-N
MW341.47 g/mol
LogP2.80
Rot. Bonds3

About tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid

tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid (PubChem CID 118454530) has the molecular formula C18H32FN3O2 and a molecular weight of 341.47 g/mol. Its IUPAC name is tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid
PubChem CID118454530
Molecular FormulaC18H32FN3O2
Molecular Weight341.47 g/mol
Exact Mass341.25
IUPAC Nametert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)C1CCN(C2CCN(C3CC3)CC2)CC1F
InChIInChI=1S/C18H32FN3O2/c1-18(2,3)22(17(23)24)16-8-11-21(12-15(16)19)14-6-9-20(10-7-14)13-4-5-13/h13-16H,4-12H2,1-3H3,(H,23,24)
InChIKeySWIFQKHHABHIAF-UHFFFAOYSA-N
XLogP2.80
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.47
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid?
The IUPAC name of tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid (CID 118454530) is tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid?
The canonical SMILES for tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid is CC(C)(C)N(C(=O)O)C1CCN(C2CCN(C3CC3)CC2)CC1F.
What is the InChIKey of tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid?
The InChIKey is SWIFQKHHABHIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32FN3O2/c1-18(2,3)22(17(23)24)16-8-11-21(12-15(16)19)14-6-9-20(10-7-14)13-4-5-13/h13-16H,4-12H2,1-3H3,(H,23,24).
What are the key properties of tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid?
tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid has a molecular weight of 341.47 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[1-(1-cyclopropylpiperidin-4-yl)-3-fluoropiperidin-4-yl]carbamic acid is sourced from PubChem (CID 118454530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).