2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol

C14H28N2O — CID 65031763

IUPAC2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NCC(C)CO)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)4-7-16-8-5-14(6-9-16)15-10-13(3)11-17/h4,13-15,17H,5-11H2,1-3H3
InChIKeyPDHAWTGTHLLUTK-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.63
Rot. Bonds6

About 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol

2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 65031763) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID65031763
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NCC(C)CO)CC1
InChIInChI=1S/C14H28N2O/c1-12(2)4-7-16-8-5-14(6-9-16)15-10-13(3)11-17/h4,13-15,17H,5-11H2,1-3H3
InChIKeyPDHAWTGTHLLUTK-UHFFFAOYSA-N
XLogP1.63
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.63
H-Bond Donors ≤ 52
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 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (CID 65031763) is 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is CC(C)=CCN1CCC(NCC(C)CO)CC1.
What is the InChIKey of 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is PDHAWTGTHLLUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-12(2)4-7-16-8-5-14(6-9-16)15-10-13(3)11-17/h4,13-15,17H,5-11H2,1-3H3.
What are the key properties of 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 65031763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).