[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol

C21H34N2O4 — CID 45246759

IUPAC[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCOc1ccc(CN2CCCC(N3CCC(CO)CC3)C2)c(OC)c1OC
InChIInChI=1S/C21H34N2O4/c1-25-19-7-6-17(20(26-2)21(19)27-3)13-22-10-4-5-18(14-22)23-11-8-16(15-24)9-12-23/h6-7,16,18,24H,4-5,8-15H2,1-3H3
InChIKeyPRGNHJMSJSUDKI-UHFFFAOYSA-N
MW378.51 g/mol
LogP2.38
Rot. Bonds7

About [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol

[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol (PubChem CID 45246759) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
PubChem CID45246759
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol
SMILESCOc1ccc(CN2CCCC(N3CCC(CO)CC3)C2)c(OC)c1OC
InChIInChI=1S/C21H34N2O4/c1-25-19-7-6-17(20(26-2)21(19)27-3)13-22-10-4-5-18(14-22)23-11-8-16(15-24)9-12-23/h6-7,16,18,24H,4-5,8-15H2,1-3H3
InChIKeyPRGNHJMSJSUDKI-UHFFFAOYSA-N
XLogP2.38
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine;oxalic acid
CID 17366796
[1-[(2-bromo-3,4-dimethoxyphenyl)methyl]pyrrolidin-3-yl]methanol
CID 111442612
(3S,8aR)-3-methyl-2-[(2,3,4-trimethoxyphenyl)methyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792133
2-[(2S)-1-cyclopentyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-yl]ethanol
CID 30727850
1-[(1R,3R)-3-methylcyclohexyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148348
1-[(2,3,4-trimethoxyphenyl)methyl]azepane
CID 23736534
1-[1-[(2,4-dimethoxy-3-methylphenyl)methyl]piperidin-3-yl]-4-(2-methoxyphenyl)piperazine
CID 45215133
piperidin-1-yl-[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]triazol-4-yl]methanone
CID 45166683
1-(4-methylcyclohexyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 1148357
1-(cycloheptylmethyl)-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 162432629
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
[1-[1-(1,2-oxazol-3-ylmethyl)piperidin-3-yl]piperidin-4-yl]methanol
CID 45252929

Frequently Asked Questions

What is the IUPAC name of [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The IUPAC name of [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol (CID 45246759) is [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol is COc1ccc(CN2CCCC(N3CCC(CO)CC3)C2)c(OC)c1OC.
What is the InChIKey of [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
The InChIKey is PRGNHJMSJSUDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-25-19-7-6-17(20(26-2)21(19)27-3)13-22-10-4-5-18(14-22)23-11-8-16(15-24)9-12-23/h6-7,16,18,24H,4-5,8-15H2,1-3H3.
What are the key properties of [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol?
[1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol has a molecular weight of 378.51 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(2,3,4-trimethoxyphenyl)methyl]piperidin-3-yl]piperidin-4-yl]methanol is sourced from PubChem (CID 45246759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).