[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate

C16H23BrN2O2 — CID 174721533

IUPAC[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O2/c1-16(2,3)18-15(20)21-14-7-9-19(10-8-14)13-6-4-5-12(17)11-13/h4-6,11,14H,7-10H2,1-3H3,(H,18,20)
InChIKeyOKWGAOXJTKINRC-UHFFFAOYSA-N
MW355.28 g/mol
LogP3.94
Rot. Bonds2

About [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate

[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 174721533) has the molecular formula C16H23BrN2O2 and a molecular weight of 355.28 g/mol. Its IUPAC name is [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
PubChem CID174721533
Molecular FormulaC16H23BrN2O2
Molecular Weight355.28 g/mol
Exact Mass354.09
IUPAC Name[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2cccc(Br)c2)CC1
InChIInChI=1S/C16H23BrN2O2/c1-16(2,3)18-15(20)21-14-7-9-19(10-8-14)13-6-4-5-12(17)11-13/h4-6,11,14H,7-10H2,1-3H3,(H,18,20)
InChIKeyOKWGAOXJTKINRC-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174973716
[1-(4-bromo-2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 170167231
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174550196
[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 123305693
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
[1-(2-chloropyrimidin-4-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174432844
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
[1-[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174652149
1-(3-bromophenyl)-4-tert-butylpiperazine
CID 68819490
[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174640244
[(3R)-1-benzylpyrrolidin-3-yl] N-tert-butylcarbamate
CID 175027236

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate (CID 174721533) is [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2cccc(Br)c2)CC1.
What is the InChIKey of [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is OKWGAOXJTKINRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2/c1-16(2,3)18-15(20)21-14-7-9-19(10-8-14)13-6-4-5-12(17)11-13/h4-6,11,14H,7-10H2,1-3H3,(H,18,20).
What are the key properties of [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate?
[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 355.28 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174721533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).