tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate

C19H30N2O2 — CID 170993454

IUPACtert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-13-11-19(12-14-21,20(4)5)15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3
InChIKeyRLRBLURQXHBPIW-UHFFFAOYSA-N
MW318.46 g/mol
LogP3.56
Rot. Bonds3

About tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate

tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate (PubChem CID 170993454) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
PubChem CID170993454
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC Nametert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate
SMILESCN(C)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-13-11-19(12-14-21,20(4)5)15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3
InChIKeyRLRBLURQXHBPIW-UHFFFAOYSA-N
XLogP3.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-benzyl-4-(hydroxymethyl)piperidine-1-carboxylate
CID 20664723
tert-butyl 4-benzyl-4-methoxypiperidine-1-carboxylate
CID 22730796
1-O-tert-butyl 4-O-methyl 4-benzylpiperidine-1,4-dicarboxylate
CID 20664732
tert-butyl 4-benzyl-4-(methanesulfonamido)piperidine-1-carboxylate
CID 20664724
tert-butyl 4-benzyl-4-(2-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143220733
ditert-butyl 4-benzyl-5-oxoazepane-1,4-dicarboxylate
CID 134942076
tert-butyl 4-benzyl-4-[benzyl(trifluoromethyl)carbamoyl]piperidine-1-carboxylate
CID 91126915
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
tert-butyl 4-fluoro-4-(2-phenylethynyl)piperidine-1-carboxylate
CID 10685859
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl 4-(benzylamino)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 146249261
tert-butyl 4-(dimethylcarbamoyl)-4-phenylpiperidine-1-carboxylate
CID 158985906

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate (CID 170993454) is tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate is CN(C)C1(Cc2ccccc2)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate?
The InChIKey is RLRBLURQXHBPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-18(2,3)23-17(22)21-13-11-19(12-14-21,20(4)5)15-16-9-7-6-8-10-16/h6-10H,11-15H2,1-5H3.
What are the key properties of tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate?
tert-butyl 4-benzyl-4-(dimethylamino)piperidine-1-carboxylate has a molecular weight of 318.46 g/mol, XLogP of 3.56, 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-(dimethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 170993454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).