1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol

C15H23NO4 — CID 2838185

IUPAC1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1cc(CN2CCCC(O)C2)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-13-7-11(8-14(19-2)15(13)20-3)9-16-6-4-5-12(17)10-16/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyGGXNBMCMKMAKCH-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.67
Rot. Bonds5

About 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol

1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol (PubChem CID 2838185) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
PubChem CID2838185
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol
SMILESCOc1cc(CN2CCCC(O)C2)cc(OC)c1OC
InChIInChI=1S/C15H23NO4/c1-18-13-7-11(8-14(19-2)15(13)20-3)9-16-6-4-5-12(17)10-16/h7-8,12,17H,4-6,9-10H2,1-3H3
InChIKeyGGXNBMCMKMAKCH-UHFFFAOYSA-N
XLogP1.67
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3-methoxy-4-methylsulfanylphenyl)methyl]piperidin-3-ol
CID 111111498
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753
oxalic acid;1-[(3,4,5-trimethoxyphenyl)methyl]azepane
CID 23724185
(4-methoxy-3,5-dimethylphenyl)-[(3R)-1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-yl]methanone
CID 42567289
(3S)-1-[(3,5-difluorophenyl)methyl]piperidin-3-ol
CID 107225646
(3S)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-3-ol
CID 754063
2-[1-cyclopentyl-4-[(3,4,5-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 45224960
1-[(2,6-dichloro-4-pyridinyl)methyl]piperidin-3-ol
CID 110904761
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[(3-methylphenyl)methyl]piperidin-3-ol
CID 23792038
1-[(3-amino-4-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62942602
9-[(3,4,5-trimethoxyphenyl)methyl]-9-azabicyclo[3.3.1]nonane
CID 129191839

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol (CID 2838185) is 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol is COc1cc(CN2CCCC(O)C2)cc(OC)c1OC.
What is the InChIKey of 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol?
The InChIKey is GGXNBMCMKMAKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-18-13-7-11(8-14(19-2)15(13)20-3)9-16-6-4-5-12(17)10-16/h7-8,12,17H,4-6,9-10H2,1-3H3.
What are the key properties of 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol?
1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol has a molecular weight of 281.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4,5-trimethoxyphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 2838185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).