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

C17H25FN2O2 — CID 86276703

IUPACtert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-12-17(8-10-19-11-9-17)13-4-6-14(18)7-5-13/h4-7,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyDDXPLRDZOFGQCX-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.97
Rot. Bonds3

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

tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate (PubChem CID 86276703) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate
PubChem CID86276703
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Nametert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCNCC1
InChIInChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-12-17(8-10-19-11-9-17)13-4-6-14(18)7-5-13/h4-7,19H,8-12H2,1-3H3,(H,20,21)
InChIKeyDDXPLRDZOFGQCX-UHFFFAOYSA-N
XLogP2.97
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate (CID 86276703) is tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1(c2ccc(F)cc2)CCNCC1.
What is the InChIKey of tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate?
The InChIKey is DDXPLRDZOFGQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-16(2,3)22-15(21)20-12-17(8-10-19-11-9-17)13-4-6-14(18)7-5-13/h4-7,19H,8-12H2,1-3H3,(H,20,21).
What are the key properties of tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[4-(4-fluorophenyl)piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 86276703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).