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

C17H28N2O — CID 62623999

IUPAC1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
SMILESCCCN1CCN(CCC(O)c2ccccc2C)CC1
InChIInChI=1S/C17H28N2O/c1-3-9-18-11-13-19(14-12-18)10-8-17(20)16-7-5-4-6-15(16)2/h4-7,17,20H,3,8-14H2,1-2H3
InChIKeyRKGKOKIEZQIKGV-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.45
Rot. Bonds6

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

1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol (PubChem CID 62623999) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
PubChem CID62623999
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
SMILESCCCN1CCN(CCC(O)c2ccccc2C)CC1
InChIInChI=1S/C17H28N2O/c1-3-9-18-11-13-19(14-12-18)10-8-17(20)16-7-5-4-6-15(16)2/h4-7,17,20H,3,8-14H2,1-2H3
InChIKeyRKGKOKIEZQIKGV-UHFFFAOYSA-N
XLogP2.45
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-hydroxy-3-(2-methylphenyl)propyl]piperidin-4-ol
CID 62623816
1-(2-methylphenyl)-3-thiomorpholin-4-ylpropan-1-ol
CID 62622922
3-(4-ethyl-4-methylpiperidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 63159696
3-(3,4-dimethoxypyrrolidin-1-yl)-1-(2-methylphenyl)propan-1-ol
CID 103539283
1-(2-methylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 62623454
3-[2-(hydroxymethyl)morpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 81212708
3-(2,2-dimethylmorpholin-4-yl)-1-(2-methylphenyl)propan-1-ol
CID 62624012
1-(2-bromophenyl)-3-(4-methylpiperazin-1-yl)propan-1-ol
CID 62625599
3-(4-ethylpiperazin-1-yl)-1-(2-propoxyphenyl)propan-1-ol
CID 82105545
3-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-1-(2-methylphenyl)propan-1-ol
CID 102936466
1-(4-bromophenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol
CID 62618976
(1R)-1-(2-methylphenyl)propan-1-ol
CID 10964682

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol?
The IUPAC name of 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol (CID 62623999) is 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol.
What is the SMILES notation for 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol?
The canonical SMILES for 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol is CCCN1CCN(CCC(O)c2ccccc2C)CC1.
What is the InChIKey of 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol?
The InChIKey is RKGKOKIEZQIKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-9-18-11-13-19(14-12-18)10-8-17(20)16-7-5-4-6-15(16)2/h4-7,17,20H,3,8-14H2,1-2H3.
What are the key properties of 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol?
1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol has a molecular weight of 276.42 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-(4-propylpiperazin-1-yl)propan-1-ol is sourced from PubChem (CID 62623999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).