1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol

C17H28N2O2 — CID 2769804

IUPAC1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-4-15-5-7-17(8-6-15)21-14-16(20)13-19-11-9-18(2)10-12-19/h5-8,16,20H,3-4,9-14H2,1-2H3
InChIKeyFCQAVEZABJZXRE-UHFFFAOYSA-N
MW292.42 g/mol
LogP1.63
Rot. Bonds7

About 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol

1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol (PubChem CID 2769804) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
PubChem CID2769804
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol
SMILESCCCc1ccc(OCC(O)CN2CCN(C)CC2)cc1
InChIInChI=1S/C17H28N2O2/c1-3-4-15-5-7-17(8-6-15)21-14-16(20)13-19-11-9-18(2)10-12-19/h5-8,16,20H,3-4,9-14H2,1-2H3
InChIKeyFCQAVEZABJZXRE-UHFFFAOYSA-N
XLogP1.63
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[4-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7081025
1-piperidin-1-yl-3-(4-propylphenoxy)propan-2-ol chloride
CID 21237668
(2S)-1-(4-methylpiperidin-1-yl)-3-(4-propylphenoxy)propan-2-ol
CID 753615
(2R)-1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 8741482
1-(4-phenylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol;dihydrochloride
CID 2769805
1-(4-methylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 18593236
ethyl 4-[2-hydroxy-3-(4-propylphenoxy)propyl]piperazine-1-carboxylate;hydrochloride
CID 2770649
(2S)-1-(4-tert-butylphenoxy)-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 780135
(2R)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-propylphenoxy)propan-2-ol
CID 1039014
4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzoic acid
CID 3151266
(2R)-1-[4-[(4-fluoropiperidin-1-yl)methyl]phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 97284083
1-[2-(4-ethylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807098

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol (CID 2769804) is 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol is CCCc1ccc(OCC(O)CN2CCN(C)CC2)cc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
The InChIKey is FCQAVEZABJZXRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-3-4-15-5-7-17(8-6-15)21-14-16(20)13-19-11-9-18(2)10-12-19/h5-8,16,20H,3-4,9-14H2,1-2H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol?
1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol has a molecular weight of 292.42 g/mol, XLogP of 1.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-(4-propylphenoxy)propan-2-ol is sourced from PubChem (CID 2769804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).