2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol

C17H28N2O3 — CID 111489429

IUPAC2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H28N2O3/c1-4-15(13-20)19-9-7-18(8-10-19)12-14-11-16(21-2)5-6-17(14)22-3/h5-6,11,15,20H,4,7-10,12-13H2,1-3H3
InChIKeyUSOBMEZWKISBEO-UHFFFAOYSA-N
MW308.42 g/mol
LogP1.59
Rot. Bonds7

About 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol

2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol (PubChem CID 111489429) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol.

Molecular Properties

Compound Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol
PubChem CID111489429
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol
SMILESCCC(CO)N1CCN(Cc2cc(OC)ccc2OC)CC1
InChIInChI=1S/C17H28N2O3/c1-4-15(13-20)19-9-7-18(8-10-19)12-14-11-16(21-2)5-6-17(14)22-3/h5-6,11,15,20H,4,7-10,12-13H2,1-3H3
InChIKeyUSOBMEZWKISBEO-UHFFFAOYSA-N
XLogP1.59
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-butan-2-yl]-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 764461
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 111497009
2-[4-[2-(4-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-ol
CID 111497039
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 30986347
1-[(2-bromo-5-methoxyphenyl)methyl]-4-butan-2-ylpiperazine
CID 65326018
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
CID 17442681
N-(3-chloro-4-methoxyphenyl)-2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]propanamide
CID 55432519
1-[(2,5-dimethoxyphenyl)methyl]azetidin-3-ol
CID 63282227
2-[(1R)-1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]ethyl]-5-methyl-1,3,4-oxadiazole
CID 95579457
1-[(2,5-dimethoxyphenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 771905
(3,4-dimethoxyphenyl)-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 1131708
4-[(2,5-dimethoxyphenyl)methyl]-N'-methyl-N-propylpiperazine-1-carboximidamide
CID 111303223

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol?
The IUPAC name of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol (CID 111489429) is 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol.
What is the SMILES notation for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol?
The canonical SMILES for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol is CCC(CO)N1CCN(Cc2cc(OC)ccc2OC)CC1.
What is the InChIKey of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol?
The InChIKey is USOBMEZWKISBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-4-15(13-20)19-9-7-18(8-10-19)12-14-11-16(21-2)5-6-17(14)22-3/h5-6,11,15,20H,4,7-10,12-13H2,1-3H3.
What are the key properties of 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol?
2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol has a molecular weight of 308.42 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]butan-1-ol is sourced from PubChem (CID 111489429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).