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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Related Compounds

3-[3-(methoxymethyl)pyrrolidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 64581191
3-(3-methoxy-4-methylpiperidin-1-yl)-2-methyl-2-phenylpropanal
CID 102966874
3-[3-(2-hydroxyethyl)piperidin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 107229032
N-ethyl-3-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-amine
CID 102967163
3-[4-(2-hydroxyethyl)piperazin-1-yl]-2,2-dimethyl-1-phenylpropan-1-ol
CID 63194001
1-[(3S,4R)-3-methoxy-4-methylpiperidin-1-yl]-3-[(3S,4S)-3-methoxy-4-methylpiperidin-1-yl]propan-2-ol
CID 124829258
2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]-2-methylbutanoic acid
CID 102967441
methyl 2-[2-[(3-methoxy-4-methylpiperidin-1-yl)methyl]phenyl]acetate
CID 102676457
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 102959935
1-(3-methoxy-4-methylpiperidin-1-yl)-3,3-dimethylbutan-2-one
CID 102960525
2-[3-(3-methoxy-4-methylpiperidin-1-yl)propoxy]benzonitrile
CID 102957784
2-(3-methoxy-4-methylpiperidin-1-yl)-1-phenylpropan-1-one
CID 102960458

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).