1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol

C19H32N2O2 — CID 3482388

IUPAC1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C19H32N2O2/c1-4-5-13-23-15-18(22)14-20-9-11-21(12-10-20)19-16(2)7-6-8-17(19)3/h6-8,18,22H,4-5,9-15H2,1-3H3
InChIKeySAPBMHLQCNCFAL-UHFFFAOYSA-N
MW320.48 g/mol
LogP2.60
Rot. Bonds8

About 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol

1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol (PubChem CID 3482388) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
PubChem CID3482388
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol
SMILESCCCCOCC(O)CN1CCN(c2c(C)cccc2C)CC1
InChIInChI=1S/C19H32N2O2/c1-4-5-13-23-15-18(22)14-20-9-11-21(12-10-20)19-16(2)7-6-8-17(19)3/h6-8,18,22H,4-5,9-15H2,1-3H3
InChIKeySAPBMHLQCNCFAL-UHFFFAOYSA-N
XLogP2.60
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
1-butoxy-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 107263711
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-undecoxypropan-2-ol
CID 110181867
1-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-(2-methoxyphenoxy)butan-2-ol
CID 173271836
1-butoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]propan-2-ol;hydrochloride
CID 21228537
1-heptoxy-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-2-ol
CID 110181730
1-butoxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16958263
1-ethoxy-3-[4-(3-methylphenyl)piperazin-1-yl]propan-2-ol
CID 63933549
1-[4-[2-hydroxy-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propoxy]phenoxy]-3-[4-(2,4,6-trimethylphenyl)piperazin-1-yl]propan-2-ol
CID 19133197
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-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol?
The IUPAC name of 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol (CID 3482388) is 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol.
What is the SMILES notation for 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol?
The canonical SMILES for 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol is CCCCOCC(O)CN1CCN(c2c(C)cccc2C)CC1.
What is the InChIKey of 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol?
The InChIKey is SAPBMHLQCNCFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-4-5-13-23-15-18(22)14-20-9-11-21(12-10-20)19-16(2)7-6-8-17(19)3/h6-8,18,22H,4-5,9-15H2,1-3H3.
What are the key properties of 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol?
1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol has a molecular weight of 320.48 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-[4-(2,6-dimethylphenyl)piperazin-1-yl]propan-2-ol is sourced from PubChem (CID 3482388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).