tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate

C18H27BrN2O2 — CID 86661351

IUPACtert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)20-11-8-14-9-12-21(13-10-14)16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,22)
InChIKeyNRIAPVCXOMEGPU-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.58
Rot. Bonds4

About tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate

tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate (PubChem CID 86661351) has the molecular formula C18H27BrN2O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
PubChem CID86661351
Molecular FormulaC18H27BrN2O2
Molecular Weight383.33 g/mol
Exact Mass382.13
IUPAC Nametert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCN(c2ccc(Br)cc2)CC1
InChIInChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)20-11-8-14-9-12-21(13-10-14)16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,22)
InChIKeyNRIAPVCXOMEGPU-UHFFFAOYSA-N
XLogP4.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-[1-(4-ethoxyphenyl)pyrrolidin-3-yl]ethyl]carbamate
CID 83982069
tert-butyl N-[[1-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]piperidin-4-yl]methyl]carbamate
CID 175619946
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
tert-butyl N-[2-[[N-[1-(4-bromophenyl)pyrrolidin-3-yl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate
CID 111918093
tert-butyl 4-[[1-(4-bromophenyl)piperidin-4-yl]methoxymethyl]piperidine-1-carboxylate
CID 162741845
tert-butyl N-[[1-[[1-(4-aminophenyl)piperidin-4-yl]methyl]piperidin-4-yl]methyl]carbamate
CID 171652249
tert-butyl N-[2-[1-(4-amino-2-fluorophenyl)piperidin-4-yl]ethyl]carbamate
CID 59204945
2-[1-(4-bromophenyl)piperidin-4-yl]ethanol
CID 117003534
tert-butyl N-[[1-(4-amino-3-hydroxyphenyl)piperidin-4-yl]methyl]carbamate
CID 164687599
tert-butyl N-[3-[[1-(4-bromobenzoyl)piperidin-4-yl]methylamino]-3-oxopropyl]carbamate
CID 108919241
tert-butyl N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)piperidin-4-yl]methyl]carbamate
CID 139523978
tert-butyl N-[2-[1-(5-bromo-2-nitrophenyl)piperidin-3-yl]ethyl]carbamate
CID 68853923

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate (CID 86661351) is tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CCN(c2ccc(Br)cc2)CC1.
What is the InChIKey of tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is NRIAPVCXOMEGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2O2/c1-18(2,3)23-17(22)20-11-8-14-9-12-21(13-10-14)16-6-4-15(19)5-7-16/h4-7,14H,8-13H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 383.33 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4-bromophenyl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 86661351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).