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

C13H26N2O — CID 43770605

IUPAC3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NCCCO)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-3-11-16/h4,13-14,16H,3,5-11H2,1-2H3
InChIKeyVUIBDJQHOQFSJL-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds6

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

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (PubChem CID 43770605) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
PubChem CID43770605
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
SMILESCC(C)=CCN1CCC(NCCCO)CC1
InChIInChI=1S/C13H26N2O/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-3-11-16/h4,13-14,16H,3,5-11H2,1-2H3
InChIKeyVUIBDJQHOQFSJL-UHFFFAOYSA-N
XLogP1.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-Difluoro-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 113463353
1-[(3Z)-3-[(propan-2-ylamino)methyl]penta-1,3-dien-2-yl]piperidin-4-ol
CID 144862322
4-Methyl-1-[(1-methylpiperidin-4-yl)amino]pent-3-en-1-ol
CID 146386676
4-Methyl-1-(piperidin-4-ylamino)pent-3-en-1-ol
CID 146386714
N-(3-ethoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43765303
N-(3-methoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43769589
1-(3-methylbut-2-enyl)-N-[3-(2-methylpropoxy)propyl]piperidin-4-amine
CID 43770121
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]butan-1-ol
CID 43771130
N-(3-ethenoxypropyl)-1-(3-methylbut-2-enyl)piperidin-4-amine
CID 43771254
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]ethanol
CID 43774103
1-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-2-ol
CID 43776273
2-[[1-(3-Methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol
CID 43776393

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol (CID 43770605) is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is CC(C)=CCN1CCC(NCCCO)CC1.
What is the InChIKey of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
The InChIKey is VUIBDJQHOQFSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-12(2)4-8-15-9-5-13(6-10-15)14-7-3-11-16/h4,13-14,16H,3,5-11H2,1-2H3.
What are the key properties of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol?
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-1-ol is sourced from PubChem (CID 43770605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).