[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol

C18H28N2O — CID 62122049

IUPAC[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H28N2O/c1-15-13-16(14-21)5-6-18(15)20-11-7-17(8-12-20)19-9-3-2-4-10-19/h5-6,13,17,21H,2-4,7-12,14H2,1H3
InChIKeyDYIFLGZDAALHEL-UHFFFAOYSA-N
MW288.44 g/mol
LogP2.94
Rot. Bonds3

About [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol

[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol (PubChem CID 62122049) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
PubChem CID62122049
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol
SMILESCc1cc(CO)ccc1N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C18H28N2O/c1-15-13-16(14-21)5-6-18(15)20-11-7-17(8-12-20)19-9-3-2-4-10-19/h5-6,13,17,21H,2-4,7-12,14H2,1H3
InChIKeyDYIFLGZDAALHEL-UHFFFAOYSA-N
XLogP2.94
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
The IUPAC name of [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol (CID 62122049) is [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol.
What is the SMILES notation for [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
The canonical SMILES for [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol is Cc1cc(CO)ccc1N1CCC(N2CCCCC2)CC1.
What is the InChIKey of [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
The InChIKey is DYIFLGZDAALHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-15-13-16(14-21)5-6-18(15)20-11-7-17(8-12-20)19-9-3-2-4-10-19/h5-6,13,17,21H,2-4,7-12,14H2,1H3.
What are the key properties of [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol?
[3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol has a molecular weight of 288.44 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]methanol is sourced from PubChem (CID 62122049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).