1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol

C14H30N2O2 — CID 107263711

IUPAC1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCN(CCC)CC1
InChIInChI=1S/C14H30N2O2/c1-3-5-11-18-13-14(17)12-16-9-7-15(6-4-2)8-10-16/h14,17H,3-13H2,1-2H3
InChIKeyWMVJQJQTHMKCCC-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.19
Rot. Bonds9

About 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol

1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol (PubChem CID 107263711) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
PubChem CID107263711
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
SMILESCCCCOCC(O)CN1CCN(CCC)CC1
InChIInChI=1S/C14H30N2O2/c1-3-5-11-18-13-14(17)12-16-9-7-15(6-4-2)8-10-16/h14,17H,3-13H2,1-2H3
InChIKeyWMVJQJQTHMKCCC-UHFFFAOYSA-N
XLogP1.19
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000
1-octoxy-3-piperidin-1-ylpropan-2-ol
CID 566865
1-butoxy-3-(1,1-dioxo-1,4-thiazepan-4-yl)propan-2-ol
CID 107271874
1-(3-butoxy-2-hydroxypropyl)piperidine-4-carbaldehyde
CID 107264386
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-butoxypropan-2-ol
CID 107263746
1-(3-butoxy-2-hydroxypropyl)-4-methylazepan-4-ol
CID 107407215
1-(3-butoxy-2-hydroxypropyl)-4-methylpiperidine-4-carbonitrile
CID 107263200
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 3482388
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
CID 3846983

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol?
The IUPAC name of 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol (CID 107263711) is 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol is CCCCOCC(O)CN1CCN(CCC)CC1.
What is the InChIKey of 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol?
The InChIKey is WMVJQJQTHMKCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-3-5-11-18-13-14(17)12-16-9-7-15(6-4-2)8-10-16/h14,17H,3-13H2,1-2H3.
What are the key properties of 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol?
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol has a molecular weight of 258.41 g/mol, XLogP of 1.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol is sourced from PubChem (CID 107263711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).