tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate

C15H31N3O2 — CID 115052275

IUPACtert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C)C(N)C1CCNCC1
InChIInChI=1S/C15H31N3O2/c1-14(2,3)20-13(19)18-10-15(4,5)12(16)11-6-8-17-9-7-11/h11-12,17H,6-10,16H2,1-5H3,(H,18,19)
InChIKeyPADYFZSQOZKBNH-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.86
Rot. Bonds4

About tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate

tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate (PubChem CID 115052275) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
PubChem CID115052275
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Nametert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate
SMILESCC(C)(C)OC(=O)NCC(C)(C)C(N)C1CCNCC1
InChIInChI=1S/C15H31N3O2/c1-14(2,3)20-13(19)18-10-15(4,5)12(16)11-6-8-17-9-7-11/h11-12,17H,6-10,16H2,1-5H3,(H,18,19)
InChIKeyPADYFZSQOZKBNH-UHFFFAOYSA-N
XLogP1.86
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)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

methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
tert-butyl N-[(2R,4S)-4-methyl-2-piperidin-4-ylhexyl]carbamate
CID 95241766
tert-butyl N-[(2S)-2-amino-2-cyclopropylethyl]carbamate
CID 67446222
tert-butyl N-(1-piperidin-4-ylethylamino)carbamate
CID 130856094
tert-butyl N-[2-(azepan-4-ylamino)-2-cyclopropylethyl]carbamate
CID 107251793
tert-butyl N-[2-(2-piperidin-4-ylethylamino)ethyl]carbamate
CID 163448402
tert-butyl N-[[5-(2-methylpropyl)azepan-4-yl]methyl]carbamate
CID 84813195
butanedioic acid;tert-butyl N-(2-piperidin-4-ylethyl)carbamate
CID 19020689
tert-butyl N-(2-piperidin-4-yloxybutyl)carbamate
CID 176922632
tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
tert-butyl N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-N-piperidin-4-ylcarbamate
CID 90457113
tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate?
The IUPAC name of tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate (CID 115052275) is tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate?
The canonical SMILES for tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate is CC(C)(C)OC(=O)NCC(C)(C)C(N)C1CCNCC1.
What is the InChIKey of tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate?
The InChIKey is PADYFZSQOZKBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-14(2,3)20-13(19)18-10-15(4,5)12(16)11-6-8-17-9-7-11/h11-12,17H,6-10,16H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate?
tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate has a molecular weight of 285.43 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-amino-2,2-dimethyl-3-piperidin-4-ylpropyl)carbamate is sourced from PubChem (CID 115052275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).