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

C17H25FN2O2 — CID 22890528

IUPACtert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC2CCN(F)CC2)cc1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-6-4-13(5-7-15)12-14-8-10-20(18)11-9-14/h4-7,14H,8-12H2,1-3H3,(H,19,21)
InChIKeyLPEPRTFFAKVYEZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP4.17
Rot. Bonds3

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

tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate (PubChem CID 22890528) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate
PubChem CID22890528
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1ccc(CC2CCN(F)CC2)cc1
InChIInChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-6-4-13(5-7-15)12-14-8-10-20(18)11-9-14/h4-7,14H,8-12H2,1-3H3,(H,19,21)
InChIKeyLPEPRTFFAKVYEZ-UHFFFAOYSA-N
XLogP4.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

Dimethyl 4',4''-methylenedicarbanilate
CID 99337
C,C'-Diethyl N,N'-(methylenedi-4,1-phenylene)bis(carbamate)
CID 82348
tert-butyl 4-(4-isopropylanilino)tetrahydro-1(2H)-pyridinecarboxylate
CID 2764198
piperidin-4-ylmethyl N-(2-phenylphenyl)carbamate
CID 156013794
Biphenyl-2-ylcarbamic Acid Piperidin-4-yl Ester
CID 10851461
Tert-butyl 4-(1-p-tolylpiperidin-4-yl)piperidine-1-carboxylate
CID 24958872
1-Propylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53317169
1-Methylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53318454
1-Butylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53321084
1-Undecylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53325043
1-Ethylpiperidin-4-yl biphenyl-2-ylcarbamate
CID 53326338
Ethyl 4-[(4-methylphenyl)amino]-1-piperidinecarboxylate
CID 867182

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate (CID 22890528) is tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1ccc(CC2CCN(F)CC2)cc1.
What is the InChIKey of tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate?
The InChIKey is LPEPRTFFAKVYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-17(2,3)22-16(21)19-15-6-4-13(5-7-15)12-14-8-10-20(18)11-9-14/h4-7,14H,8-12H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate?
tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[(1-fluoropiperidin-4-yl)methyl]phenyl]carbamate is sourced from PubChem (CID 22890528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).