chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol

C14H27ClN2O — CID 145044371

IUPACchloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESC=C/C(=C\C)CN1CCC(O)(CNC)CC1.CCl
InChIInChI=1S/C13H24N2O.CH3Cl/c1-4-12(5-2)10-15-8-6-13(16,7-9-15)11-14-3;1-2/h4-5,14,16H,1,6-11H2,2-3H3;1H3/b12-5+;
InChIKeySVYCWHIEFOGLTN-NKPNRJPBSA-N
MW274.84 g/mol
LogP2.02
Rot. Bonds5

About chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol

chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol (PubChem CID 145044371) has the molecular formula C14H27ClN2O and a molecular weight of 274.84 g/mol. Its IUPAC name is chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol.

Molecular Properties

Compound Namechloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
PubChem CID145044371
Molecular FormulaC14H27ClN2O
Molecular Weight274.84 g/mol
Exact Mass274.18
IUPAC Namechloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
SMILESC=C/C(=C\C)CN1CCC(O)(CNC)CC1.CCl
InChIInChI=1S/C13H24N2O.CH3Cl/c1-4-12(5-2)10-15-8-6-13(16,7-9-15)11-14-3;1-2/h4-5,14,16H,1,6-11H2,2-3H3;1H3/b12-5+;
InChIKeySVYCWHIEFOGLTN-NKPNRJPBSA-N
XLogP2.02
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.84
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-[(2E)-2-ethenylpenta-2,4-dienyl]piperidin-4-ol
CID 155632193
4-(Methylaminomethyl)-1-prop-2-enylpiperidin-4-ol
CID 82281000
1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol
CID 145044372

Frequently Asked Questions

What is the IUPAC name of chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
The IUPAC name of chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol (CID 145044371) is chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol.
What is the SMILES notation for chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
The canonical SMILES for chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol is C=C/C(=C\C)CN1CCC(O)(CNC)CC1.CCl.
What is the InChIKey of chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
The InChIKey is SVYCWHIEFOGLTN-NKPNRJPBSA-N. The full InChI is InChI=1S/C13H24N2O.CH3Cl/c1-4-12(5-2)10-15-8-6-13(16,7-9-15)11-14-3;1-2/h4-5,14,16H,1,6-11H2,2-3H3;1H3/b12-5+;.
What are the key properties of chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol?
chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol has a molecular weight of 274.84 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;1-[(E)-2-ethenylbut-2-enyl]-4-(methylaminomethyl)piperidin-4-ol is sourced from PubChem (CID 145044371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).