1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol

C13H24N2O — CID 103071389

IUPAC1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
SMILESC=C(CNC1CC1)CN1CCC(O)C(C)C1
InChIInChI=1S/C13H24N2O/c1-10(7-14-12-3-4-12)8-15-6-5-13(16)11(2)9-15/h11-14,16H,1,3-9H2,2H3
InChIKeyLODCQBDBJDMGPP-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.00
Rot. Bonds5

About 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol (PubChem CID 103071389) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
PubChem CID103071389
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
SMILESC=C(CNC1CC1)CN1CCC(O)C(C)C1
InChIInChI=1S/C13H24N2O/c1-10(7-14-12-3-4-12)8-15-6-5-13(16)11(2)9-15/h11-14,16H,1,3-9H2,2H3
InChIKeyLODCQBDBJDMGPP-UHFFFAOYSA-N
XLogP1.00
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
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

1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929
N-cyclopropyl-2-(4-hydroxy-3-methylpiperidin-1-yl)acetamide
CID 114502743
2-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129445651
2-[(3S,4S)-4-hydroxy-3-methylpiperidin-1-yl]acetic acid
CID 129381021
(3S,4R)-1-ethyl-3-methylpiperidin-4-ol
CID 143448112
N-[2-[(2,5-dimethylpiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103070872
N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103070427
2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
CID 103071117
N'-hydroxy-2-[(3R,4S)-4-hydroxy-3-methylpiperidin-1-yl]ethanimidamide
CID 129381008
N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069010
2-(4-hydroxy-3-methylpiperidin-1-yl)-N-prop-2-enylacetamide
CID 114502335

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol (CID 103071389) is 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol is C=C(CNC1CC1)CN1CCC(O)C(C)C1.
What is the InChIKey of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol?
The InChIKey is LODCQBDBJDMGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-10(7-14-12-3-4-12)8-15-6-5-13(16)11(2)9-15/h11-14,16H,1,3-9H2,2H3.
What are the key properties of 1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol?
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol has a molecular weight of 224.35 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-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 103071389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).