tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate

C18H27NO3 — CID 22730796

IUPACtert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
SMILESCOC1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H27NO3/c1-17(2,3)22-16(20)19-12-10-18(21-4,11-13-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3
InChIKeyGOLZVFPTOFJHAN-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.65
Rot. Bonds3

About tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate

tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate (PubChem CID 22730796) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
PubChem CID22730796
Molecular FormulaC18H27NO3
Molecular Weight305.42 g/mol
Exact Mass305.20
IUPAC Nametert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
SMILESCOC1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H27NO3/c1-17(2,3)22-16(20)19-12-10-18(21-4,11-13-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3
InChIKeyGOLZVFPTOFJHAN-UHFFFAOYSA-N
XLogP3.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methoxy-4-(phenylmethoxymethyl)piperidine-1-carboxylate
CID 71268626
tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-[(2-fluorophenyl)methyl]-4-methoxypiperidine-1-carboxylate
CID 18794739
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
CID 170993454
tert-butyl 4-benzyl-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143220733
tert-butyl 4-(iodomethyl)-4-phenylmethoxypiperidine-1-carboxylate
CID 104969586
tert-butyl 4-[[2-(4-chlorophenyl)phenyl]methyl]-4-methoxypiperidine-1-carboxylate
CID 67126823
tert-butyl 4-methoxy-4-(2-phenylethynyl)piperidine-1-carboxylate
CID 162372020
ditert-butyl 4-benzyl-5-oxoazepane-1,4-dicarboxylate
CID 134942076
tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
CID 20664724
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate (CID 22730796) is tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate is COC1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate?
The InChIKey is GOLZVFPTOFJHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-17(2,3)22-16(20)19-12-10-18(21-4,11-13-19)14-15-8-6-5-7-9-15/h5-9H,10-14H2,1-4H3.
What are the key properties of tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate?
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate has a molecular weight of 305.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate is sourced from PubChem (CID 22730796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).