tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate

C15H30N2O2 — CID 63241433

IUPACtert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
SMILESCC(C)NCC1CCCN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)16-9-13-7-6-8-17(10-13)11-14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyUNODYYLXGLYXDW-UHFFFAOYSA-N
MW270.42 g/mol
LogP2.04
Rot. Bonds5

About tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate

tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate (PubChem CID 63241433) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
PubChem CID63241433
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate
SMILESCC(C)NCC1CCCN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O2/c1-12(2)16-9-13-7-6-8-17(10-13)11-14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3
InChIKeyUNODYYLXGLYXDW-UHFFFAOYSA-N
XLogP2.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate 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 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
tert-butyl 2-(3-hydroxypiperidin-1-yl)acetate
CID 60689789
N-(2-methylpropyl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 55173495
2-methyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-2-ol
CID 63241892
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706
N-[[1-(2-methylidenebutyl)piperidin-3-yl]methyl]propan-2-amine
CID 66043827
N-[[1-(2-chloroprop-2-enyl)piperidin-3-yl]methyl]propan-2-amine
CID 63241265
tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999559
N-(oxan-4-yl)-2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetamide
CID 63241627
2,2-dimethyl-1-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]propan-1-one
CID 63241776

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate (CID 63241433) is tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate is CC(C)NCC1CCCN(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate?
The InChIKey is UNODYYLXGLYXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-12(2)16-9-13-7-6-8-17(10-13)11-14(18)19-15(3,4)5/h12-13,16H,6-11H2,1-5H3.
What are the key properties of tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate?
tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate has a molecular weight of 270.42 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]acetate is sourced from PubChem (CID 63241433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).