3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol

C17H23NO3 — CID 102964619

IUPAC3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(CN2CCCC(OC)C2)cc1C#CCO
InChIInChI=1S/C17H23NO3/c1-20-16-6-3-9-18(13-16)12-14-7-8-17(21-2)15(11-14)5-4-10-19/h7-8,11,16,19H,3,6,9-10,12-13H2,1-2H3
InChIKeyYYWKDKGKGNMHMV-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.65
Rot. Bonds4

About 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol

3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol (PubChem CID 102964619) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol.

Molecular Properties

Compound Name3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
PubChem CID102964619
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
SMILESCOc1ccc(CN2CCCC(OC)C2)cc1C#CCO
InChIInChI=1S/C17H23NO3/c1-20-16-6-3-9-18(13-16)12-14-7-8-17(21-2)15(11-14)5-4-10-19/h7-8,11,16,19H,3,6,9-10,12-13H2,1-2H3
InChIKeyYYWKDKGKGNMHMV-UHFFFAOYSA-N
XLogP1.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[4-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 102964608
3-[5-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-2-methoxyphenyl]prop-2-yn-1-ol
CID 104968463
2-[2-methoxy-4-[[(3R)-3-methoxypiperidin-1-yl]methyl]phenoxy]acetic acid
CID 125443053
4-[[3-(3-hydroxyprop-1-ynyl)-4-methoxyphenyl]methyl]-1-methylpiperazin-2-one
CID 64693098
1-[[4-fluoro-3-(3-fluoro-4-methoxyphenyl)phenyl]methyl]-3-methoxypiperidine
CID 162627048
2-methoxy-5-[[3-(methylamino)piperidin-1-yl]methyl]benzonitrile
CID 65341117
1-[(4-iodophenyl)methyl]-3-methoxypiperidine
CID 103713929
methyl 2-fluoro-4-[(3-methoxypiperidin-1-yl)methyl]benzoate
CID 103749371
3-[5-(cyclopropylmethoxymethyl)-2-methoxyphenyl]prop-2-yn-1-ol
CID 54974372
2-methoxy-5-(piperidin-1-ylmethyl)benzonitrile
CID 65343965
5-[(3-ethoxypiperidin-1-yl)methyl]-2-methoxyaniline
CID 54985085
3-[5-(cyclopentylmethylsulfanylmethyl)-2-methoxyphenyl]prop-2-yn-1-ol
CID 63120155

Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The IUPAC name of 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol (CID 102964619) is 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol.
What is the SMILES notation for 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The canonical SMILES for 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol is COc1ccc(CN2CCCC(OC)C2)cc1C#CCO.
What is the InChIKey of 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
The InChIKey is YYWKDKGKGNMHMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-20-16-6-3-9-18(13-16)12-14-7-8-17(21-2)15(11-14)5-4-10-19/h7-8,11,16,19H,3,6,9-10,12-13H2,1-2H3.
What are the key properties of 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol?
3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol has a molecular weight of 289.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol is sourced from PubChem (CID 102964619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).