tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate

C17H27N3O2 — CID 123824709

IUPACtert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(Cc2ccccc2)CCC1N
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-15-12-20(10-9-14(15)18)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3,(H,19,21)
InChIKeyXFVMOJKUKNRSIF-UHFFFAOYSA-N
MW305.42 g/mol
LogP2.11
Rot. Bonds3

About tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate

tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate (PubChem CID 123824709) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
PubChem CID123824709
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Nametert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN(Cc2ccccc2)CCC1N
InChIInChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-15-12-20(10-9-14(15)18)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3,(H,19,21)
InChIKeyXFVMOJKUKNRSIF-UHFFFAOYSA-N
XLogP2.11
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3R,4R)-1-benzyl-3-methylpiperidin-4-yl]carbamate
CID 69019941
tert-butyl N-[(3S,4S)-1-benzyl-4-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 86587101
tert-butyl N-[(3R,4R)-1-benzyl-4-(2-fluoroethyl)piperidin-3-yl]carbamate
CID 20599298
tert-butyl N-[(3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 11784143
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
tert-butyl N-[(3S,4R)-1-benzyl-3-cyanopiperidin-4-yl]carbamate
CID 155294397
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
tert-butyl N-[(3S,4R)-1-benzyl-4-(trifluoromethyl)pyrrolidin-3-yl]carbamate
CID 70110064
tert-butyl N-[(3R,4R)-1-benzyl-4-phenylpyrrolidin-3-yl]carbamate
CID 124748766
methyl (3R,4R)-1-benzyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-3-carboxylate
CID 67801118
methyl N-[(3S,4S)-1-benzyl-4-methylpiperidin-3-yl]carbamate;hydrochloride
CID 56832345
tert-butyl N-[(3aS,4R,6aR)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate;tert-butyl N-[(3aR,4S,6aS)-2-benzyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 78358060

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate (CID 123824709) is tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CN(Cc2ccccc2)CCC1N.
What is the InChIKey of tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate?
The InChIKey is XFVMOJKUKNRSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)22-16(21)19-15-12-20(10-9-14(15)18)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12,18H2,1-3H3,(H,19,21).
What are the key properties of tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate?
tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate has a molecular weight of 305.42 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-amino-1-benzylpiperidin-3-yl)carbamate is sourced from PubChem (CID 123824709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).