3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol

C18H29NO2 — CID 102967520

IUPAC3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCOC1CN(CC(C)(C)C(O)c2ccccc2)CCC1C
InChIInChI=1S/C18H29NO2/c1-14-10-11-19(12-16(14)21-4)13-18(2,3)17(20)15-8-6-5-7-9-15/h5-9,14,16-17,20H,10-13H2,1-4H3
InChIKeyOHFNTDHBGHMDPR-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.10
Rot. Bonds5

About 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol

3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol (PubChem CID 102967520) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
PubChem CID102967520
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol
SMILESCOC1CN(CC(C)(C)C(O)c2ccccc2)CCC1C
InChIInChI=1S/C18H29NO2/c1-14-10-11-19(12-16(14)21-4)13-18(2,3)17(20)15-8-6-5-7-9-15/h5-9,14,16-17,20H,10-13H2,1-4H3
InChIKeyOHFNTDHBGHMDPR-UHFFFAOYSA-N
XLogP3.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
The IUPAC name of 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol (CID 102967520) is 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol.
What is the SMILES notation for 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
The canonical SMILES for 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol is COC1CN(CC(C)(C)C(O)c2ccccc2)CCC1C.
What is the InChIKey of 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
The InChIKey is OHFNTDHBGHMDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-14-10-11-19(12-16(14)21-4)13-18(2,3)17(20)15-8-6-5-7-9-15/h5-9,14,16-17,20H,10-13H2,1-4H3.
What are the key properties of 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol?
3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol has a molecular weight of 291.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxy-4-methylpiperidin-1-yl)-2,2-dimethyl-1-phenylpropan-1-ol is sourced from PubChem (CID 102967520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).