tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate

C17H32FN3O2 — CID 170952309

IUPACtert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C17H32FN3O2/c1-15(2,3)23-14(22)20-16(4)7-11-21(12-8-16)13-17(18)5-9-19-10-6-17/h19H,5-13H2,1-4H3,(H,20,22)
InChIKeyCLAHUQVCDMZMRS-UHFFFAOYSA-N
MW329.46 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate

tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate (PubChem CID 170952309) has the molecular formula C17H32FN3O2 and a molecular weight of 329.46 g/mol. Its IUPAC name is tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate
PubChem CID170952309
Molecular FormulaC17H32FN3O2
Molecular Weight329.46 g/mol
Exact Mass329.25
IUPAC Nametert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate
SMILESCC1(NC(=O)OC(C)(C)C)CCN(CC2(F)CCNCC2)CC1
InChIInChI=1S/C17H32FN3O2/c1-15(2,3)23-14(22)20-16(4)7-11-21(12-8-16)13-17(18)5-9-19-10-6-17/h19H,5-13H2,1-4H3,(H,20,22)
InChIKeyCLAHUQVCDMZMRS-UHFFFAOYSA-N
XLogP2.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.46
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate (CID 170952309) is tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate is CC1(NC(=O)OC(C)(C)C)CCN(CC2(F)CCNCC2)CC1.
What is the InChIKey of tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate?
The InChIKey is CLAHUQVCDMZMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FN3O2/c1-15(2,3)23-14(22)20-16(4)7-11-21(12-8-16)13-17(18)5-9-19-10-6-17/h19H,5-13H2,1-4H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate?
tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate has a molecular weight of 329.46 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4-fluoropiperidin-4-yl)methyl]-4-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 170952309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).