tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate

C16H33N3O3 — CID 130577882

IUPACtert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate
SMILESCN(C)CC(O)CC1(CN)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H33N3O3/c1-15(2,3)22-14(21)19-8-6-7-16(11-17,12-19)9-13(20)10-18(4)5/h13,20H,6-12,17H2,1-5H3
InChIKeyYQLIOGJPEXPIHO-UHFFFAOYSA-N
MW315.46 g/mol
LogP1.27
Rot. Bonds5

About tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate

tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate (PubChem CID 130577882) has the molecular formula C16H33N3O3 and a molecular weight of 315.46 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate
PubChem CID130577882
Molecular FormulaC16H33N3O3
Molecular Weight315.46 g/mol
Exact Mass315.25
IUPAC Nametert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate
SMILESCN(C)CC(O)CC1(CN)CCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H33N3O3/c1-15(2,3)22-14(21)19-8-6-7-16(11-17,12-19)9-13(20)10-18(4)5/h13,20H,6-12,17H2,1-5H3
InChIKeyYQLIOGJPEXPIHO-UHFFFAOYSA-N
XLogP1.27
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate 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 3-cyano-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate
CID 130577874
tert-butyl 3-(aminomethyl)-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82664676
tert-butyl 3-(2-aminoethyl)-3-(fluoromethyl)piperidine-1-carboxylate
CID 115048625
tert-butyl (3S)-3-[(2S)-3-amino-2-hydroxypropyl]-3-cyanopiperidine-1-carboxylate
CID 125452485
tert-butyl 3-amino-3-(2-hydroxypropyl)piperidine-1-carboxylate
CID 115048296
tert-butyl 4,4-bis(aminomethyl)piperidine-1-carboxylate
CID 126502774
tert-butyl (3R)-3-ethyl-3-(2-hydroxyethyl)piperidine-1-carboxylate
CID 16723836
tert-butyl (3S)-3-amino-3-methylpiperidine-1-carboxylate;ethane
CID 155737634
tert-butyl 2-(aminomethyl)-2-(hydroxymethyl)-5-azaspiro[2.5]octane-5-carboxylate
CID 84712731
tert-butyl 4-(aminomethyl)-4-hydroxyazepane-1-carboxylate
CID 56698914
tert-butyl (3S)-3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 96892899
tert-butyl 3-amino-3-(hydroxymethyl)piperidine-1-carboxylate
CID 82662965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate (CID 130577882) is tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate is CN(C)CC(O)CC1(CN)CCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate?
The InChIKey is YQLIOGJPEXPIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O3/c1-15(2,3)22-14(21)19-8-6-7-16(11-17,12-19)9-13(20)10-18(4)5/h13,20H,6-12,17H2,1-5H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate has a molecular weight of 315.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-[3-(dimethylamino)-2-hydroxypropyl]piperidine-1-carboxylate is sourced from PubChem (CID 130577882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).