tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate

C11H20F2N2O2 — CID 84729003

IUPACtert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)F)CCNCC1
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-11(8(12)13)4-6-14-7-5-11/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyZCDNMZMKVDWJSS-UHFFFAOYSA-N
MW250.29 g/mol
LogP1.90
Rot. Bonds2

About tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate

tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate (PubChem CID 84729003) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate
PubChem CID84729003
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Nametert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(F)F)CCNCC1
InChIInChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-11(8(12)13)4-6-14-7-5-11/h8,14H,4-7H2,1-3H3,(H,15,16)
InChIKeyZCDNMZMKVDWJSS-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate
CID 19691370
Tert-butyl 4-[(2,2,2-trifluoroethyl)amino]piperidine-1-carboxylate
CID 39870957
Tert-butyl (4-ethylpiperidin-4-yl)carbamate
CID 17860920
Tert-butyl 4-amino-4-(trifluoromethyl)piperidine-1-carboxylate
CID 21054728
4-(2,2-Difluoro-ethylamino)-piperidine-1-carboxylic acid tert-butyl ester
CID 45158821
tert-Butyl 4-(1-amino-2,2,2-trifluoroethyl)piperidine-1-carboxylate
CID 49759504
tert-butyl N-methyl-N-(4-methylpiperidin-4-yl)carbamate
CID 50988935
tert-butyl N-((3R,4R)-3-fluoropiperidin-4-yl)carbamate
CID 53302083
(3-Trifluoromethyl-piperidin-4-YL)-carbamic acid tert-butyl ester
CID 53414531
tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate hydrochloride
CID 54772441
tert-Butyl 4-amino-3,3-difluoropiperidine-1-carboxylate
CID 56932105
Tert-butyl 3-(aminomethyl)-4,4-difluoropiperidine-1-carboxylate
CID 67373803

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate (CID 84729003) is tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1(C(F)F)CCNCC1.
What is the InChIKey of tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate?
The InChIKey is ZCDNMZMKVDWJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-10(2,3)17-9(16)15-11(8(12)13)4-6-14-7-5-11/h8,14H,4-7H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate?
tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate has a molecular weight of 250.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(difluoromethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 84729003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).