2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol

C14H26N2O2 — CID 103071117

IUPAC2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
SMILESC=C(CNC1CC1)CN1CCC(OCCO)CC1
InChIInChI=1S/C14H26N2O2/c1-12(10-15-13-2-3-13)11-16-6-4-14(5-7-16)18-9-8-17/h13-15,17H,1-11H2
InChIKeyLEBSVYNCTNVQOM-UHFFFAOYSA-N
MW254.37 g/mol
LogP0.77
Rot. Bonds8

About 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol

2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol (PubChem CID 103071117) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
PubChem CID103071117
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol
SMILESC=C(CNC1CC1)CN1CCC(OCCO)CC1
InChIInChI=1S/C14H26N2O2/c1-12(10-15-13-2-3-13)11-16-6-4-14(5-7-16)18-9-8-17/h13-15,17H,1-11H2
InChIKeyLEBSVYNCTNVQOM-UHFFFAOYSA-N
XLogP0.77
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 115771115
N-[2-[(3-ethoxypiperidin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069929
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-[4-(2-hydroxyethoxy)piperidin-1-yl]acetohydrazide
CID 82701189
N-[2-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]prop-2-enyl]cyclopropanamine
CID 103070427
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]pyrrolidine-3,4-diol
CID 106673564
N-[2-[(4-benzylpiperazin-1-yl)methyl]prop-2-enyl]cyclopropanamine
CID 103069010
2-[1-[4-(methylamino)cyclohexyl]piperidin-4-yl]oxyethanol
CID 114763538
1-[2-[(cyclopropylamino)methyl]prop-2-enyl]-3-methylpiperidin-4-ol
CID 103071389
2-[1-(3-chloro-2-methylprop-2-enyl)piperidin-4-yl]oxyethanol
CID 106439882
2-[(4-methoxypiperidin-1-yl)methyl]-N-propan-2-ylprop-2-en-1-amine
CID 103069327
2-[1-(5-sulfanylpentyl)piperidin-4-yl]oxyethanol
CID 82693649

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol (CID 103071117) is 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol is C=C(CNC1CC1)CN1CCC(OCCO)CC1.
What is the InChIKey of 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol?
The InChIKey is LEBSVYNCTNVQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-12(10-15-13-2-3-13)11-16-6-4-14(5-7-16)18-9-8-17/h13-15,17H,1-11H2.
What are the key properties of 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol?
2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol has a molecular weight of 254.37 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(cyclopropylamino)methyl]prop-2-enyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 103071117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).