1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol

C16H25NO2 — CID 102959935

IUPAC1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C16H25NO2/c1-4-15(18)13-7-5-6-8-14(13)17-10-9-12(2)16(11-17)19-3/h5-8,12,15-16,18H,4,9-11H2,1-3H3
InChIKeyVQWYYDJSXPCXME-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.99
Rot. Bonds4

About 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol

1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol (PubChem CID 102959935) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
PubChem CID102959935
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol
SMILESCCC(O)c1ccccc1N1CCC(C)C(OC)C1
InChIInChI=1S/C16H25NO2/c1-4-15(18)13-7-5-6-8-14(13)17-10-9-12(2)16(11-17)19-3/h5-8,12,15-16,18H,4,9-11H2,1-3H3
InChIKeyVQWYYDJSXPCXME-UHFFFAOYSA-N
XLogP2.99
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-amine
CID 102959014
(1R)-1-[2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 113359067
1-[2-(3-methylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678761
1-[2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]phenyl]propan-1-ol
CID 114798372
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]phenyl]propan-1-ol
CID 106836517
(1S)-1-[5-(3-methoxy-4-methylpiperidin-1-yl)-2-pyridinyl]propan-1-ol
CID 102959932
(1S)-1-[2-[4-(dimethylamino)piperidin-1-yl]phenyl]propan-1-ol
CID 103959777
1-[2-(3-ethylpiperidin-1-yl)phenyl]propan-1-ol
CID 112678826
1-[2-[4-(2-hydroxyethoxy)piperidin-1-yl]phenyl]propan-1-ol
CID 115996046
(1R)-1-(2-piperidin-1-ylphenyl)propan-1-ol
CID 103959701
(1R)-1-[2-(4-ethylazepan-1-yl)phenyl]propan-1-ol
CID 103960194
(1S)-1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]propan-1-ol
CID 103959921

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol?
The IUPAC name of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol (CID 102959935) is 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol.
What is the SMILES notation for 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol?
The canonical SMILES for 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol is CCC(O)c1ccccc1N1CCC(C)C(OC)C1.
What is the InChIKey of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol?
The InChIKey is VQWYYDJSXPCXME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-4-15(18)13-7-5-6-8-14(13)17-10-9-12(2)16(11-17)19-3/h5-8,12,15-16,18H,4,9-11H2,1-3H3.
What are the key properties of 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol?
1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol has a molecular weight of 263.38 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxy-4-methylpiperidin-1-yl)phenyl]propan-1-ol is sourced from PubChem (CID 102959935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).