tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride

C11H22ClFN2O2 — CID 54772441

IUPACtert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(F)CCNCC1.Cl
InChIInChI=1S/C11H21FN2O2.ClH/c1-10(2,3)16-9(15)14-8-11(12)4-6-13-7-5-11;/h13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyBJZKYSGISHYROW-UHFFFAOYSA-N
MW268.76 g/mol
LogP2.02
Rot. Bonds2

About tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride

tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride (PubChem CID 54772441) has the molecular formula C11H22ClFN2O2 and a molecular weight of 268.76 g/mol. Its IUPAC name is tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride
PubChem CID54772441
Molecular FormulaC11H22ClFN2O2
Molecular Weight268.76 g/mol
Exact Mass268.14
IUPAC Nametert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NCC1(F)CCNCC1.Cl
InChIInChI=1S/C11H21FN2O2.ClH/c1-10(2,3)16-9(15)14-8-11(12)4-6-13-7-5-11;/h13H,4-8H2,1-3H3,(H,14,15);1H
InChIKeyBJZKYSGISHYROW-UHFFFAOYSA-N
XLogP2.02
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.76
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-Boc-amino)piperidine
CID 723833
4-(2-Aminoethyl)piperidine, 4-BOC protected
CID 1501849
tert-butyl N-[2-(piperidin-3-yl)ethyl]carbamate
CID 4362805
Tert-butyl (piperidin-4-ylmethyl)carbamate
CID 723429
1-Boc-4-(aminomethyl)piperidine
CID 736817
tert-butyl N-[1-(piperidin-4-yl)ethyl]carbamate
CID 43523185
1,1-Dimethylethyl N-(4-methyl-4-piperidinyl)carbamate
CID 19691370
tert-butyl N-[(piperidin-3-yl)methyl]carbamate
CID 2756030
tert-butyl N-methyl-N-(piperidin-4-ylmethyl)carbamate
CID 23004743
tert-Butyl 4-((methylamino)methyl)piperidine-1-carboxylate
CID 21934652
(S)-tert-Butyl (piperidin-3-ylmethyl)carbamate
CID 1501847
(R)-tert-Butyl (piperidin-3-ylmethyl)carbamate
CID 1501848

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride (CID 54772441) is tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NCC1(F)CCNCC1.Cl.
What is the InChIKey of tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride?
The InChIKey is BJZKYSGISHYROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2O2.ClH/c1-10(2,3)16-9(15)14-8-11(12)4-6-13-7-5-11;/h13H,4-8H2,1-3H3,(H,14,15);1H.
What are the key properties of tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride?
tert-butyl N-[(4-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride has a molecular weight of 268.76 g/mol, XLogP of 2.02, 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-fluoropiperidin-4-yl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 54772441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).