[3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol

C13H22N2O — CID 115882916

IUPAC[3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCn1ccc(CN2CCCC(C)(CO)C2)c1
InChIInChI=1S/C13H22N2O/c1-13(11-16)5-3-6-15(10-13)9-12-4-7-14(2)8-12/h4,7-8,16H,3,5-6,9-11H2,1-2H3
InChIKeySMVAIPDCWIJMRH-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.62
Rot. Bonds3

About [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol

[3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol (PubChem CID 115882916) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol
PubChem CID115882916
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol
SMILESCn1ccc(CN2CCCC(C)(CO)C2)c1
InChIInChI=1S/C13H22N2O/c1-13(11-16)5-3-6-15(10-13)9-12-4-7-14(2)8-12/h4,7-8,16H,3,5-6,9-11H2,1-2H3
InChIKeySMVAIPDCWIJMRH-UHFFFAOYSA-N
XLogP1.62
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol (CID 115882916) is [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol is Cn1ccc(CN2CCCC(C)(CO)C2)c1.
What is the InChIKey of [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is SMVAIPDCWIJMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-13(11-16)5-3-6-15(10-13)9-12-4-7-14(2)8-12/h4,7-8,16H,3,5-6,9-11H2,1-2H3.
What are the key properties of [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol?
[3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 222.33 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-methylpyrrol-3-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 115882916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).