tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate

C13H26N2O2 — CID 59424157

IUPACtert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-8-6-7-11(9-15)14-12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyOQFKRDDKXDGEPS-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds2

About tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate

tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate (PubChem CID 59424157) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
PubChem CID59424157
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate
SMILESCC(C)N1CCCC(NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-10(2)15-8-6-7-11(9-15)14-12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16)
InChIKeyOQFKRDDKXDGEPS-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-propan-2-ylpiperidin-3-yl)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-[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]carbamate
CID 97175587
tert-butyl N-[(3R)-1-[(1S)-1-(furan-2-yl)ethyl]piperidin-3-yl]carbamate
CID 129460914
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl N-[(3R)-1-[(1R)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 98232041
tert-butyl N-[(3R)-1-[(1S)-1-pyridin-2-ylethyl]piperidin-3-yl]carbamate
CID 99725150
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate
CID 58235997
tert-butyl N-[4-[(1-propan-2-ylazepan-4-yl)amino]butan-2-yl]carbamate
CID 107247033
tert-butyl N-(1-nitrosopiperidin-3-yl)carbamate
CID 122432272
tert-butyl N-[(1R)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate;tert-butyl N-[(3S)-3-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]carbamate;methane
CID 159616114
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505
(2R)-2-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-pyridin-4-ylacetic acid
CID 124929955
5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-propan-2-ylpiperidine-3-carboxylic acid
CID 112544400

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate (CID 59424157) is tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate is CC(C)N1CCCC(NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate?
The InChIKey is OQFKRDDKXDGEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-10(2)15-8-6-7-11(9-15)14-12(16)17-13(3,4)5/h10-11H,6-9H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate?
tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-propan-2-ylpiperidin-3-yl)carbamate is sourced from PubChem (CID 59424157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).