3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol

C16H25NO — CID 20829678

IUPAC3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol
SMILESCc1ccc(C2(CCCO)CCCNC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-5-6-15(11-14(13)2)16(8-4-10-18)7-3-9-17-12-16/h5-6,11,17-18H,3-4,7-10,12H2,1-2H3
InChIKeyIBODHNWEYZLZFE-UHFFFAOYSA-N
MW247.38 g/mol
LogP2.70
Rot. Bonds4

About 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol

3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol (PubChem CID 20829678) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol
PubChem CID20829678
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol
SMILESCc1ccc(C2(CCCO)CCCNC2)cc1C
InChIInChI=1S/C16H25NO/c1-13-5-6-15(11-14(13)2)16(8-4-10-18)7-3-9-17-12-16/h5-6,11,17-18H,3-4,7-10,12H2,1-2H3
InChIKeyIBODHNWEYZLZFE-UHFFFAOYSA-N
XLogP2.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol?
The IUPAC name of 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol (CID 20829678) is 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol?
The canonical SMILES for 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol is Cc1ccc(C2(CCCO)CCCNC2)cc1C.
What is the InChIKey of 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol?
The InChIKey is IBODHNWEYZLZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-5-6-15(11-14(13)2)16(8-4-10-18)7-3-9-17-12-16/h5-6,11,17-18H,3-4,7-10,12H2,1-2H3.
What are the key properties of 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol?
3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 2.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dimethylphenyl)piperidin-3-yl]propan-1-ol is sourced from PubChem (CID 20829678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).