4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol

C13H26N2O — CID 103071087

IUPAC4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
SMILESC=C(CNCCC)CN1CCC(C)(O)CC1
InChIInChI=1S/C13H26N2O/c1-4-7-14-10-12(2)11-15-8-5-13(3,16)6-9-15/h14,16H,2,4-11H2,1,3H3
InChIKeyGDJGUNILLDXFJU-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.39
Rot. Bonds6

About 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol

4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol (PubChem CID 103071087) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
PubChem CID103071087
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
SMILESC=C(CNCCC)CN1CCC(C)(O)CC1
InChIInChI=1S/C13H26N2O/c1-4-7-14-10-12(2)11-15-8-5-13(3,16)6-9-15/h14,16H,2,4-11H2,1,3H3
InChIKeyGDJGUNILLDXFJU-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-[(3,3-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103070736
2-(1,4-oxazepan-4-ylmethyl)-N-propylprop-2-en-1-amine
CID 103070419
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylazepan-4-ol
CID 107407652
1-[2-(propylaminomethyl)prop-2-enyl]pyrrolidin-3-ol
CID 103070392
2-[(3,5-dimethylpiperidin-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068925
4,4-dimethyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidine-2,6-dione
CID 103072355
1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol
CID 103071350
2-[(4-methylsulfanylazepan-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 114237800
2-[(2,6-dimethylmorpholin-4-yl)methyl]-N-propylprop-2-en-1-amine
CID 103068847
N-propyl-2-[(3-propylpyrrolidin-1-yl)methyl]prop-2-en-1-amine
CID 103071251
2-(4-hydroxy-4-methylazepan-1-yl)-N-propylacetamide
CID 107408408
1-[2-(ethylamino)ethyl]-4-methylpiperidin-4-ol
CID 81103848

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol?
The IUPAC name of 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol (CID 103071087) is 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol.
What is the SMILES notation for 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol?
The canonical SMILES for 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol is C=C(CNCCC)CN1CCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol?
The InChIKey is GDJGUNILLDXFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-7-14-10-12(2)11-15-8-5-13(3,16)6-9-15/h14,16H,2,4-11H2,1,3H3.
What are the key properties of 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol?
4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-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 4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol is sourced from PubChem (CID 103071087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).