4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol

C9H18N2O — CID 90902595

IUPAC4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol
SMILESCC1NCCC(=CN(C)C)C1O
InChIInChI=1S/C9H18N2O/c1-7-9(12)8(4-5-10-7)6-11(2)3/h6-7,9-10,12H,4-5H2,1-3H3
InChIKeyQCOYZRDUINFCDS-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.17
Rot. Bonds1

About 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol

4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol (PubChem CID 90902595) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol.

Molecular Properties

Compound Name4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol
PubChem CID90902595
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol
SMILESCC1NCCC(=CN(C)C)C1O
InChIInChI=1S/C9H18N2O/c1-7-9(12)8(4-5-10-7)6-11(2)3/h6-7,9-10,12H,4-5H2,1-3H3
InChIKeyQCOYZRDUINFCDS-UHFFFAOYSA-N
XLogP0.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2Z,3S,5S,6S)-2-(aminomethylidene)-6-methylpiperidine-3,5-diol
CID 126537601
4-Methylidene-2-prop-2-enylpiperidin-3-ol
CID 163929424
2-(2-Methylprop-2-enyl)piperidin-3-ol
CID 86229520
2-Methyl-1-piperidin-2-ylprop-2-en-1-ol
CID 106634654

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol?
The IUPAC name of 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol (CID 90902595) is 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol.
What is the SMILES notation for 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol?
The canonical SMILES for 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol is CC1NCCC(=CN(C)C)C1O.
What is the InChIKey of 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol?
The InChIKey is QCOYZRDUINFCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-7-9(12)8(4-5-10-7)6-11(2)3/h6-7,9-10,12H,4-5H2,1-3H3.
What are the key properties of 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol?
4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol has a molecular weight of 170.26 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylaminomethylidene)-2-methylpiperidin-3-ol is sourced from PubChem (CID 90902595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).