1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol

C19H32N2O4 — CID 3846983

IUPAC1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCN(c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C19H32N2O4/c1-4-5-10-25-15-17(22)14-20-6-8-21(9-7-20)16-11-18(23-2)13-19(12-16)24-3/h11-13,17,22H,4-10,14-15H2,1-3H3
InChIKeyDPIYDCIKXJNIIN-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.00
Rot. Bonds10

About 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol

1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 3846983) has the molecular formula C19H32N2O4 and a molecular weight of 352.48 g/mol. Its IUPAC name is 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
PubChem CID3846983
Molecular FormulaC19H32N2O4
Molecular Weight352.48 g/mol
Exact Mass352.24
IUPAC Name1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCN(c2cc(OC)cc(OC)c2)CC1
InChIInChI=1S/C19H32N2O4/c1-4-5-10-25-15-17(22)14-20-6-8-21(9-7-20)16-11-18(23-2)13-19(12-16)24-3/h11-13,17,22H,4-10,14-15H2,1-3H3
InChIKeyDPIYDCIKXJNIIN-UHFFFAOYSA-N
XLogP2.00
TPSA54.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662
1-butoxy-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-2-ol
CID 3667051
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
CID 3482388
1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 21228537
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
CID 110181867
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-prop-2-enoxypropan-2-ol
CID 18593538
(2S)-1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[2-(3-methoxyphenoxy)ethoxy]propan-2-ol
CID 30930104
1-heptoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 110181730
(2R)-1-[2-(1-adamantyl)ethoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070606
1-[2-(1-adamantyl)ethoxy]-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 4258046
1-butoxy-3-[4-(1-hydroxyethyl)piperidin-1-yl]propan-2-ol
CID 107264000

Frequently Asked Questions

What is the IUPAC name of 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol (CID 3846983) is 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol is CCCCOCC(O)CN1CCN(c2cc(OC)cc(OC)c2)CC1.
What is the InChIKey of 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is DPIYDCIKXJNIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O4/c1-4-5-10-25-15-17(22)14-20-6-8-21(9-7-20)16-11-18(23-2)13-19(12-16)24-3/h11-13,17,22H,4-10,14-15H2,1-3H3.
What are the key properties of 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol?
1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 352.48 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[4-(3,5-dimethoxyphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3846983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).