4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride

C10H23Cl2N3O — CID 71757797

IUPAC4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride
SMILESCC(C)(C)NC(=O)N1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C10H21N3O.2ClH/c1-10(2,3)12-9(14)13-6-4-8(11)5-7-13;;/h8H,4-7,11H2,1-3H3,(H,12,14);2*1H
InChIKeyJFKPMFYDLPFAJG-UHFFFAOYSA-N
MW272.22 g/mol
LogP1.76
Rot. Bonds

About 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride

4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride (PubChem CID 71757797) has the molecular formula C10H23Cl2N3O and a molecular weight of 272.22 g/mol. Its IUPAC name is 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride
PubChem CID71757797
Molecular FormulaC10H23Cl2N3O
Molecular Weight272.22 g/mol
Exact Mass271.12
IUPAC Name4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride
SMILESCC(C)(C)NC(=O)N1CCC(N)CC1.Cl.Cl
InChIInChI=1S/C10H21N3O.2ClH/c1-10(2,3)12-9(14)13-6-4-8(11)5-7-13;;/h8H,4-7,11H2,1-3H3,(H,12,14);2*1H
InChIKeyJFKPMFYDLPFAJG-UHFFFAOYSA-N
XLogP1.76
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride?
The IUPAC name of 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride (CID 71757797) is 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride.
What is the SMILES notation for 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride?
The canonical SMILES for 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride is CC(C)(C)NC(=O)N1CCC(N)CC1.Cl.Cl.
What is the InChIKey of 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride?
The InChIKey is JFKPMFYDLPFAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O.2ClH/c1-10(2,3)12-9(14)13-6-4-8(11)5-7-13;;/h8H,4-7,11H2,1-3H3,(H,12,14);2*1H.
What are the key properties of 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride?
4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride has a molecular weight of 272.22 g/mol, XLogP of 1.76, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-tert-butylpiperidine-1-carboxamide;dihydrochloride is sourced from PubChem (CID 71757797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).