tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate

C17H35N3O2 — CID 104864390

IUPACtert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
SMILESCC(CCN(C)C)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-14(10-12-19(5)6)18-13-15-9-7-8-11-20(15)16(21)22-17(2,3)4/h14-15,18H,7-13H2,1-6H3
InChIKeyPRVRLHFXWZDRCD-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.71
Rot. Bonds6

About tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate

tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate (PubChem CID 104864390) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
PubChem CID104864390
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate
SMILESCC(CCN(C)C)NCC1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H35N3O2/c1-14(10-12-19(5)6)18-13-15-9-7-8-11-20(15)16(21)22-17(2,3)4/h14-15,18H,7-13H2,1-6H3
InChIKeyPRVRLHFXWZDRCD-UHFFFAOYSA-N
XLogP2.71
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]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 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl 2-[(1,1-difluoropropan-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246836
tert-butyl 2-[(2-methylpentan-3-ylamino)methyl]piperidine-1-carboxylate
CID 106633773
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 103782675
tert-butyl 2-[(3-methylbutylamino)methyl]piperidine-1-carboxylate
CID 106632857
tert-butyl 2-[2-[1-(dimethylamino)propan-2-ylamino]propyl]piperidine-1-carboxylate
CID 103879002
tert-butyl 2-[(tert-butylamino)methyl]piperidine-1-carboxylate
CID 106632784
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl 2-[[(1-hydroxy-4-methylpentan-3-yl)amino]methyl]pyrrolidine-1-carboxylate
CID 104891938

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate (CID 104864390) is tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate is CC(CCN(C)C)NCC1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate?
The InChIKey is PRVRLHFXWZDRCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O2/c1-14(10-12-19(5)6)18-13-15-9-7-8-11-20(15)16(21)22-17(2,3)4/h14-15,18H,7-13H2,1-6H3.
What are the key properties of tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate?
tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate has a molecular weight of 313.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[[4-(dimethylamino)butan-2-ylamino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 104864390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).