3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine

C16H34N2O — CID 102913624

IUPAC3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCCCOC1CCNCC1)C(C)C
InChIInChI=1S/C16H34N2O/c1-13(2)16(14(3)4)12-18-8-5-11-19-15-6-9-17-10-7-15/h13-18H,5-12H2,1-4H3
InChIKeyQNTLSVJNPJLWGJ-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.66
Rot. Bonds9

About 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine

3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine (PubChem CID 102913624) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine
PubChem CID102913624
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine
SMILESCC(C)C(CNCCCOC1CCNCC1)C(C)C
InChIInChI=1S/C16H34N2O/c1-13(2)16(14(3)4)12-18-8-5-11-19-15-6-9-17-10-7-15/h13-18H,5-12H2,1-4H3
InChIKeyQNTLSVJNPJLWGJ-UHFFFAOYSA-N
XLogP2.66
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine (CID 102913624) is 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine is CC(C)C(CNCCCOC1CCNCC1)C(C)C.
What is the InChIKey of 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine?
The InChIKey is QNTLSVJNPJLWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O/c1-13(2)16(14(3)4)12-18-8-5-11-19-15-6-9-17-10-7-15/h13-18H,5-12H2,1-4H3.
What are the key properties of 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine?
3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine has a molecular weight of 270.46 g/mol, XLogP of 2.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(3-piperidin-4-yloxypropyl)-2-propan-2-ylbutan-1-amine is sourced from PubChem (CID 102913624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).