3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride

C13H27ClN2O2 — CID 67309825

IUPAC3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride
SMILESCC(C)(N)CC(=O)OCCCN1CCCCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,14)11-12(16)17-10-6-9-15-7-4-3-5-8-15;/h3-11,14H2,1-2H3;1H
InChIKeyQFDZJWJXQWMHQM-UHFFFAOYSA-N
MW278.82 g/mol
LogP1.95
Rot. Bonds6

About 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride

3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride (PubChem CID 67309825) has the molecular formula C13H27ClN2O2 and a molecular weight of 278.82 g/mol. Its IUPAC name is 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride.

Molecular Properties

Compound Name3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride
PubChem CID67309825
Molecular FormulaC13H27ClN2O2
Molecular Weight278.82 g/mol
Exact Mass278.18
IUPAC Name3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride
SMILESCC(C)(N)CC(=O)OCCCN1CCCCC1.Cl
InChIInChI=1S/C13H26N2O2.ClH/c1-13(2,14)11-12(16)17-10-6-9-15-7-4-3-5-8-15;/h3-11,14H2,1-2H3;1H
InChIKeyQFDZJWJXQWMHQM-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.82
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride?
The IUPAC name of 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride (CID 67309825) is 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride.
What is the SMILES notation for 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride?
The canonical SMILES for 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride is CC(C)(N)CC(=O)OCCCN1CCCCC1.Cl.
What is the InChIKey of 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride?
The InChIKey is QFDZJWJXQWMHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2.ClH/c1-13(2,14)11-12(16)17-10-6-9-15-7-4-3-5-8-15;/h3-11,14H2,1-2H3;1H.
What are the key properties of 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride?
3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride has a molecular weight of 278.82 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-ylpropyl 3-amino-3-methylbutanoate;hydrochloride is sourced from PubChem (CID 67309825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).