tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine

C17H35N3O2 — CID 143722203

IUPACtert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CCN
InChIInChI=1S/C15H28N2O2.C2H7N/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-2-3/h12-13,16H,4-11H2,1-3H3;2-3H2,1H3
InChIKeyVLAUXKHVVPDYQW-UHFFFAOYSA-N
MW313.49 g/mol
LogP2.60
Rot. Bonds1

About tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine

tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine (PubChem CID 143722203) has the molecular formula C17H35N3O2 and a molecular weight of 313.49 g/mol. Its IUPAC name is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine.

Molecular Properties

Compound Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine
PubChem CID143722203
Molecular FormulaC17H35N3O2
Molecular Weight313.49 g/mol
Exact Mass313.27
IUPAC Nametert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine
SMILESCC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CCN
InChIInChI=1S/C15H28N2O2.C2H7N/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-2-3/h12-13,16H,4-11H2,1-3H3;2-3H2,1H3
InChIKeyVLAUXKHVVPDYQW-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine?
The IUPAC name of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine (CID 143722203) is tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine.
What is the SMILES notation for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine?
The canonical SMILES for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine is CC(C)(C)OC(=O)N1CCC(C2CCNCC2)CC1.CCN.
What is the InChIKey of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine?
The InChIKey is VLAUXKHVVPDYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.C2H7N/c1-15(2,3)19-14(18)17-10-6-13(7-11-17)12-4-8-16-9-5-12;1-2-3/h12-13,16H,4-11H2,1-3H3;2-3H2,1H3.
What are the key properties of tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine?
tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine has a molecular weight of 313.49 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-piperidin-4-ylpiperidine-1-carboxylate;ethanamine is sourced from PubChem (CID 143722203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).