1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol

C12H24N2O — CID 103071350

IUPAC1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol
SMILESC=C(CNCC)CN1CCCC(C)(O)C1
InChIInChI=1S/C12H24N2O/c1-4-13-8-11(2)9-14-7-5-6-12(3,15)10-14/h13,15H,2,4-10H2,1,3H3
InChIKeyWKWXXABNBWYPRM-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol

1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol (PubChem CID 103071350) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol
PubChem CID103071350
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol
SMILESC=C(CNCC)CN1CCCC(C)(O)C1
InChIInChI=1S/C12H24N2O/c1-4-13-8-11(2)9-14-7-5-6-12(3,15)10-14/h13,15H,2,4-10H2,1,3H3
InChIKeyWKWXXABNBWYPRM-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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
4-methyl-1-[2-(propylaminomethyl)prop-2-enyl]piperidin-4-ol
CID 103071087
1-[2-[(tert-butylamino)methyl]prop-2-enyl]-4-methylazepan-4-ol
CID 107407652
2-[2-(ethylaminomethyl)prop-2-enyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 103071078
1-[4-[2-(ethylaminomethyl)prop-2-enyl]-1,4-diazepan-1-yl]ethanone
CID 103070091
ethyl 4-[2-(ethylaminomethyl)prop-2-enyl]piperazine-1-carboxylate
CID 107877646
N-ethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874028
1-(azocan-1-yl)-2-(3-hydroxy-3-methylpiperidin-1-yl)ethanone
CID 115873988
N-(1-cyanocyclopentyl)-2-(3-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 115874111
N-ethyl-2-[(3-propoxypiperidin-1-yl)methyl]prop-2-en-1-amine
CID 103069920
1-[2-(ethylaminomethyl)-2-methylbutyl]-4-methylazepan-4-ol
CID 107408780
1-(2,2-difluoroethyl)-3-methylpiperidin-3-ol
CID 115874131

Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
The IUPAC name of 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol (CID 103071350) is 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol.
What is the SMILES notation for 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
The canonical SMILES for 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol is C=C(CNCC)CN1CCCC(C)(O)C1.
What is the InChIKey of 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
The InChIKey is WKWXXABNBWYPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-13-8-11(2)9-14-7-5-6-12(3,15)10-14/h13,15H,2,4-10H2,1,3H3.
What are the key properties of 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol?
1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol has a molecular weight of 212.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylaminomethyl)prop-2-enyl]-3-methylpiperidin-3-ol is sourced from PubChem (CID 103071350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).