N-(2-methylpropoxy)-1-propylpiperidin-4-amine

C12H26N2O — CID 82710051

IUPACN-(2-methylpropoxy)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NOCC(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-4-7-14-8-5-12(6-9-14)13-15-10-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyWESXDEODEZEMOG-UHFFFAOYSA-N
MW214.35 g/mol
LogP2.04
Rot. Bonds6

About N-(2-methylpropoxy)-1-propylpiperidin-4-amine

N-(2-methylpropoxy)-1-propylpiperidin-4-amine (PubChem CID 82710051) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is N-(2-methylpropoxy)-1-propylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-methylpropoxy)-1-propylpiperidin-4-amine
PubChem CID82710051
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC NameN-(2-methylpropoxy)-1-propylpiperidin-4-amine
SMILESCCCN1CCC(NOCC(C)C)CC1
InChIInChI=1S/C12H26N2O/c1-4-7-14-8-5-12(6-9-14)13-15-10-11(2)3/h11-13H,4-10H2,1-3H3
InChIKeyWESXDEODEZEMOG-UHFFFAOYSA-N
XLogP2.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropoxy)-1-propylpiperidin-4-amine?
The IUPAC name of N-(2-methylpropoxy)-1-propylpiperidin-4-amine (CID 82710051) is N-(2-methylpropoxy)-1-propylpiperidin-4-amine.
What is the SMILES notation for N-(2-methylpropoxy)-1-propylpiperidin-4-amine?
The canonical SMILES for N-(2-methylpropoxy)-1-propylpiperidin-4-amine is CCCN1CCC(NOCC(C)C)CC1.
What is the InChIKey of N-(2-methylpropoxy)-1-propylpiperidin-4-amine?
The InChIKey is WESXDEODEZEMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-4-7-14-8-5-12(6-9-14)13-15-10-11(2)3/h11-13H,4-10H2,1-3H3.
What are the key properties of N-(2-methylpropoxy)-1-propylpiperidin-4-amine?
N-(2-methylpropoxy)-1-propylpiperidin-4-amine has a molecular weight of 214.35 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropoxy)-1-propylpiperidin-4-amine is sourced from PubChem (CID 82710051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).