tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate

C18H26FNO3 — CID 18794739

IUPACtert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
SMILESCOC1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26FNO3/c1-17(2,3)23-16(21)20-11-9-18(22-4,10-12-20)13-14-7-5-6-8-15(14)19/h5-8H,9-13H2,1-4H3
InChIKeySNTDWZWKOHJCPA-UHFFFAOYSA-N
MW323.41 g/mol
LogP3.78
Rot. Bonds3

About tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate

tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate (PubChem CID 18794739) has the molecular formula C18H26FNO3 and a molecular weight of 323.41 g/mol. Its IUPAC name is tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
PubChem CID18794739
Molecular FormulaC18H26FNO3
Molecular Weight323.41 g/mol
Exact Mass323.19
IUPAC Nametert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
SMILESCOC1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H26FNO3/c1-17(2,3)23-16(21)20-11-9-18(22-4,10-12-20)13-14-7-5-6-8-15(14)19/h5-8H,9-13H2,1-4H3
InChIKeySNTDWZWKOHJCPA-UHFFFAOYSA-N
XLogP3.78
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.41
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
tert-butyl 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine-1-carboxylate
CID 67126823
tert-butyl 4-[1,5-bis(2-fluorophenyl)-4-[4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-3-oxopentan-2-yl]-4-methylpiperidine-1-carboxylate
CID 174479489
tert-butyl 4-[4-[(2-fluorophenyl)methyl]-1-methoxycyclohexyl]piperazine-1-carboxylate
CID 69349923
tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 71268626
tert-butyl 4-fluoro-4-(2-fluorophenyl)piperidine-1-carboxylate
CID 67059992
1-benzylpiperidin-4-one;tert-butyl 4-[(2-fluorophenyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 67653210
tert-butyl 4-[2-(2-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 134385677
tert-butyl 4-[(2,4-difluorophenyl)methyl]-4-fluoropiperidine-1-carboxylate
CID 163385640
4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 45074519
tert-butyl 4-(cyanomethyl)-4-methoxypiperidine-1-carboxylate
CID 101392924
tert-butyl 4-ethyl-4-(2-fluorophenyl)azepane-1-carboxylate
CID 123459614

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate (CID 18794739) is tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate is COC1(Cc2ccccc2F)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate?
The InChIKey is SNTDWZWKOHJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FNO3/c1-17(2,3)23-16(21)20-11-9-18(22-4,10-12-20)13-14-7-5-6-8-15(14)19/h5-8H,9-13H2,1-4H3.
What are the key properties of tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate has a molecular weight of 323.41 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 18794739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).