tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate

C17H26N2O2 — CID 46829957

IUPACtert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-15-10-14(11-18-12-15)9-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1
InChIKeyOYODLBIEEGJKBG-GJZGRUSLSA-N
MW290.41 g/mol
LogP2.73
Rot. Bonds3

About tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate

tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate (PubChem CID 46829957) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
PubChem CID46829957
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](Cc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-15-10-14(11-18-12-15)9-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1
InChIKeyOYODLBIEEGJKBG-GJZGRUSLSA-N
XLogP2.73
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl formate;tert-butyl N-[(3S,5R)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamate
CID 174724044
tert-butyl N-[(2S,6S)-1-benzyl-2,6-dimethylpiperidin-4-yl]carbamate
CID 92998286
tert-butyl N-[3-[(4-bromophenyl)methyl]cyclobutyl]carbamate
CID 167738140
[(3R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-3-yl]carbamic acid
CID 141220052
benzyl N-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]cyclobutyl]carbamate
CID 176911085
tert-butyl N-[3-[(3-fluorophenyl)methyl]cyclobutyl]carbamate
CID 167553603
tert-butyl N-[(3R)-6-benzyl-2-oxoazepan-3-yl]carbamate
CID 23657247
benzyl N-[(1R,3S)-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclopentyl]carbamate
CID 20729715
[(2R)-1-hydroxy-3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]propan-2-yl] N-benzylcarbamate
CID 162390398
N-[(3S,5R)-5-acetamidopiperidin-3-yl]acetamide;acetyl acetate;benzyl (3S,5R)-3,5-bis[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate;benzyl (3S,5R)-3,5-diacetamidopiperidine-1-carboxylate;benzyl (3R,5S)-3,5-diaminopiperidine-1-carboxylate
CID 160760167
tert-butyl N-[(3S)-5-fluoropiperidin-3-yl]carbamate
CID 129241023
tert-butyl N-[[4-(pyrrolidin-3-ylmethyl)phenyl]methyl]carbamate
CID 138463428

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate (CID 46829957) is tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CNC[C@@H](Cc2ccccc2)C1.
What is the InChIKey of tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate?
The InChIKey is OYODLBIEEGJKBG-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-15-10-14(11-18-12-15)9-13-7-5-4-6-8-13/h4-8,14-15,18H,9-12H2,1-3H3,(H,19,20)/t14-,15-/m0/s1.
What are the key properties of tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate?
tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,5S)-5-benzylpiperidin-3-yl]carbamate is sourced from PubChem (CID 46829957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).