N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine

C15H30N2O — CID 64600680

IUPACN-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCC(C)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)5-9-17-10-6-15(7-11-17)16-14(3)8-12-18-4/h5,14-16H,6-12H2,1-4H3
InChIKeyPQJIHAJBSOYIAX-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.43
Rot. Bonds7

About N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine

N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine (PubChem CID 64600680) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
PubChem CID64600680
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine
SMILESCOCCC(C)NC1CCN(CC=C(C)C)CC1
InChIInChI=1S/C15H30N2O/c1-13(2)5-9-17-10-6-15(7-11-17)16-14(3)8-12-18-4/h5,14-16H,6-12H2,1-4H3
InChIKeyPQJIHAJBSOYIAX-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine (CID 64600680) is N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine is COCCC(C)NC1CCN(CC=C(C)C)CC1.
What is the InChIKey of N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
The InChIKey is PQJIHAJBSOYIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-13(2)5-9-17-10-6-15(7-11-17)16-14(3)8-12-18-4/h5,14-16H,6-12H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine?
N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine has a molecular weight of 254.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-1-(3-methylbut-2-enyl)piperidin-4-amine is sourced from PubChem (CID 64600680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).