1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol

C16H25NO — CID 114066923

IUPAC1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)C(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-16(18)14-5-7-15(8-6-14)17-10-9-12(2)13(3)11-17/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyMDMYSOASRRJVNA-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.61
Rot. Bonds3

About 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol

1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol (PubChem CID 114066923) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol
PubChem CID114066923
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccc(N2CCC(C)C(C)C2)cc1
InChIInChI=1S/C16H25NO/c1-4-16(18)14-5-7-15(8-6-14)17-10-9-12(2)13(3)11-17/h5-8,12-13,16,18H,4,9-11H2,1-3H3
InChIKeyMDMYSOASRRJVNA-UHFFFAOYSA-N
XLogP3.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol?
The IUPAC name of 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol (CID 114066923) is 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol is CCC(O)c1ccc(N2CCC(C)C(C)C2)cc1.
What is the InChIKey of 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol?
The InChIKey is MDMYSOASRRJVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-16(18)14-5-7-15(8-6-14)17-10-9-12(2)13(3)11-17/h5-8,12-13,16,18H,4,9-11H2,1-3H3.
What are the key properties of 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol?
1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,4-dimethylpiperidin-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 114066923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).