tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate

C16H23FN2O2 — CID 84815325

IUPACtert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-10-12-8-9-18-14(12)11-4-6-13(17)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyLZDPLTJFDNVCGJ-UHFFFAOYSA-N
MW294.37 g/mol
LogP3.00
Rot. Bonds3

About tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 84815325) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID84815325
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Nametert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC1c1ccc(F)cc1
InChIInChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-10-12-8-9-18-14(12)11-4-6-13(17)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20)
InChIKeyLZDPLTJFDNVCGJ-UHFFFAOYSA-N
XLogP3.00
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(benzylamino)-3-phenylpropan-2-yl]carbamate
CID 3449857
(R)-tert-butyl 4-(1-amino-2-(2,4,5-trifluorophenyl)ethyl)piperidine-1-carboxylate
CID 44592508
(2-Isopropyl-benzyl)-(S)-pyrrolidin-3-yl-carbamic acid ethyl ester
CID 44578371
(S)-Pyrrolidin-3-yl-(2-trifluoromethyl-benzyl)-carbamic acid ethyl ester
CID 44578372
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[4-[3-(dibenzylamino)propylamino]butyl]carbamate
CID 145983561
tert-butyl N-[4-[3-[bis[(4-fluorophenyl)methyl]amino]propylamino]cyclohexyl]carbamate
CID 145984289
tert-butyl N-[(E,1S)-4,4-dimethyl-5-oxo-1-phenyl-5-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]pent-2-enyl]carbamate
CID 166630854
1-Benzyl-4-(N-Boc-amino) piperidine
CID 4438618
N-Benzyl-N'-boc-ethylenediamine
CID 10634443
tert-butyl N-[cyano(4-fluorophenyl)methyl]carbamate
CID 11230439
tert-butyl N-[(1R)-2-cyano-1-phenylethyl]carbamate
CID 11459253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate (CID 84815325) is tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCNC1c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is LZDPLTJFDNVCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2,3)21-15(20)19-10-12-8-9-18-14(12)11-4-6-13(17)7-5-11/h4-7,12,14,18H,8-10H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 294.37 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(4-fluorophenyl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 84815325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).