N-tert-butylpiperidin-4-amine;formic acid

C10H22N2O2 — CID 175154114

IUPACN-tert-butylpiperidin-4-amine;formic acid
SMILESCC(C)(C)NC1CCNCC1.O=CO
InChIInChI=1S/C9H20N2.CH2O2/c1-9(2,3)11-8-4-6-10-7-5-8;2-1-3/h8,10-11H,4-7H2,1-3H3;1H,(H,2,3)
InChIKeyQNQPAENLPRFXIX-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.83
Rot. Bonds1

About N-tert-butylpiperidin-4-amine;formic acid

N-tert-butylpiperidin-4-amine;formic acid (PubChem CID 175154114) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-tert-butylpiperidin-4-amine;formic acid.

Molecular Properties

Compound NameN-tert-butylpiperidin-4-amine;formic acid
PubChem CID175154114
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC NameN-tert-butylpiperidin-4-amine;formic acid
SMILESCC(C)(C)NC1CCNCC1.O=CO
InChIInChI=1S/C9H20N2.CH2O2/c1-9(2,3)11-8-4-6-10-7-5-8;2-1-3/h8,10-11H,4-7H2,1-3H3;1H,(H,2,3)
InChIKeyQNQPAENLPRFXIX-UHFFFAOYSA-N
XLogP0.83
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-tert-butylpiperidin-4-amine;formic acid?
The IUPAC name of N-tert-butylpiperidin-4-amine;formic acid (CID 175154114) is N-tert-butylpiperidin-4-amine;formic acid.
What is the SMILES notation for N-tert-butylpiperidin-4-amine;formic acid?
The canonical SMILES for N-tert-butylpiperidin-4-amine;formic acid is CC(C)(C)NC1CCNCC1.O=CO.
What is the InChIKey of N-tert-butylpiperidin-4-amine;formic acid?
The InChIKey is QNQPAENLPRFXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.CH2O2/c1-9(2,3)11-8-4-6-10-7-5-8;2-1-3/h8,10-11H,4-7H2,1-3H3;1H,(H,2,3).
What are the key properties of N-tert-butylpiperidin-4-amine;formic acid?
N-tert-butylpiperidin-4-amine;formic acid has a molecular weight of 202.30 g/mol, XLogP of 0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butylpiperidin-4-amine;formic acid is sourced from PubChem (CID 175154114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).