tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate

C17H30F2N2O2 — CID 71293727

IUPACtert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H30F2N2O2/c1-16(2,3)23-15(22)20-14-6-10-21(11-7-14)12-13-4-8-17(18,19)9-5-13/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyNUUWHVHHLRXUHZ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.80
Rot. Bonds3

About tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate (PubChem CID 71293727) has the molecular formula C17H30F2N2O2 and a molecular weight of 332.44 g/mol. Its IUPAC name is tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate
PubChem CID71293727
Molecular FormulaC17H30F2N2O2
Molecular Weight332.44 g/mol
Exact Mass332.23
IUPAC Nametert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CC2CCC(F)(F)CC2)CC1
InChIInChI=1S/C17H30F2N2O2/c1-16(2,3)23-15(22)20-14-6-10-21(11-7-14)12-13-4-8-17(18,19)9-5-13/h13-14H,4-12H2,1-3H3,(H,20,22)
InChIKeyNUUWHVHHLRXUHZ-UHFFFAOYSA-N
XLogP3.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate (CID 71293727) is tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CC2CCC(F)(F)CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate?
The InChIKey is NUUWHVHHLRXUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F2N2O2/c1-16(2,3)23-15(22)20-14-6-10-21(11-7-14)12-13-4-8-17(18,19)9-5-13/h13-14H,4-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate has a molecular weight of 332.44 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 71293727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).