1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol

C14H22N2O — CID 2838100

IUPAC1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol
SMILESCN(C)c1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-15(2)13-7-5-12(6-8-13)10-16-9-3-4-14(17)11-16/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyAPAWBOUGMPJQKM-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.71
Rot. Bonds3

About 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol

1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol (PubChem CID 2838100) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol
PubChem CID2838100
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol
SMILESCN(C)c1ccc(CN2CCCC(O)C2)cc1
InChIInChI=1S/C14H22N2O/c1-15(2)13-7-5-12(6-8-13)10-16-9-3-4-14(17)11-16/h5-8,14,17H,3-4,9-11H2,1-2H3
InChIKeyAPAWBOUGMPJQKM-UHFFFAOYSA-N
XLogP1.71
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol (CID 2838100) is 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol is CN(C)c1ccc(CN2CCCC(O)C2)cc1.
What is the InChIKey of 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol?
The InChIKey is APAWBOUGMPJQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-15(2)13-7-5-12(6-8-13)10-16-9-3-4-14(17)11-16/h5-8,14,17H,3-4,9-11H2,1-2H3.
What are the key properties of 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol?
1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol has a molecular weight of 234.34 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(dimethylamino)phenyl]methyl]piperidin-3-ol is sourced from PubChem (CID 2838100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).