1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene

C11H24N2O — CID 144950491

IUPAC1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene
SMILESC=CC.CNCC1(O)CCN(C)CC1
InChIInChI=1S/C8H18N2O.C3H6/c1-9-7-8(11)3-5-10(2)6-4-8;1-3-2/h9,11H,3-7H2,1-2H3;3H,1H2,2H3
InChIKeyOCFGZKQIFWNMLF-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.85
Rot. Bonds2

About 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene

1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene (PubChem CID 144950491) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene.

Molecular Properties

Compound Name1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene
PubChem CID144950491
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene
SMILESC=CC.CNCC1(O)CCN(C)CC1
InChIInChI=1S/C8H18N2O.C3H6/c1-9-7-8(11)3-5-10(2)6-4-8;1-3-2/h9,11H,3-7H2,1-2H3;3H,1H2,2H3
InChIKeyOCFGZKQIFWNMLF-UHFFFAOYSA-N
XLogP0.85
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.85
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-Methyl-4-((methylamino)methyl)piperidin-4-ol
CID 14153814
4-((Dimethylamino)methyl)piperidin-4-ol
CID 14578470
1-Ethyl-4-(methylaminomethyl)piperidin-4-ol
CID 20137971
4-Ethylaminomethyl-4-hydroxy-1-methylpiperidine
CID 22097496
4-[(Diethylamino)methyl]piperidin-4-ol
CID 28279659
4-(Methylaminomethyl)-1-propan-2-ylpiperidin-4-ol
CID 39237893
4-[[Methyl(2-methylpropyl)amino]methyl]piperidin-4-ol
CID 54515486
4-[[Ethyl(methyl)amino]methyl]piperidin-4-ol
CID 62221491
4-[[Ethyl(propyl)amino]methyl]piperidin-4-ol
CID 62221852
3-Ethyl-1,5-bis(prop-2-enylamino)pentan-3-ol
CID 88214629
3-(Aminomethyl)-1,5-bis(prop-2-enylamino)pentan-3-ol
CID 88441360
4-[(Dimethylamino)methyl]piperidin-4-ol;hydrochloride
CID 169547345

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene?
The IUPAC name of 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene (CID 144950491) is 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene.
What is the SMILES notation for 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene?
The canonical SMILES for 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene is C=CC.CNCC1(O)CCN(C)CC1.
What is the InChIKey of 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene?
The InChIKey is OCFGZKQIFWNMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.C3H6/c1-9-7-8(11)3-5-10(2)6-4-8;1-3-2/h9,11H,3-7H2,1-2H3;3H,1H2,2H3.
What are the key properties of 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene?
1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene has a molecular weight of 200.33 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(methylaminomethyl)piperidin-4-ol;prop-1-ene is sourced from PubChem (CID 144950491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).