(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol

C19H32N2O3 — CID 7165470

IUPAC(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
SMILESCC(C)c1ccccc1OCCOC[C@@H](O)CN1CCN(C)CC1
InChIInChI=1S/C19H32N2O3/c1-16(2)18-6-4-5-7-19(18)24-13-12-23-15-17(22)14-21-10-8-20(3)9-11-21/h4-7,16-17,22H,8-15H2,1-3H3/t17-/m0/s1
InChIKeyJWIZLHCXFLPNAY-KRWDZBQOSA-N
MW336.48 g/mol
LogP1.81
Rot. Bonds9

About (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol

(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol (PubChem CID 7165470) has the molecular formula C19H32N2O3 and a molecular weight of 336.48 g/mol. Its IUPAC name is (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
PubChem CID7165470
Molecular FormulaC19H32N2O3
Molecular Weight336.48 g/mol
Exact Mass336.24
IUPAC Name(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
SMILESCC(C)c1ccccc1OCCOC[C@@H](O)CN1CCN(C)CC1
InChIInChI=1S/C19H32N2O3/c1-16(2)18-6-4-5-7-19(18)24-13-12-23-15-17(22)14-21-10-8-20(3)9-11-21/h4-7,16-17,22H,8-15H2,1-3H3/t17-/m0/s1
InChIKeyJWIZLHCXFLPNAY-KRWDZBQOSA-N
XLogP1.81
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol;dihydrochloride
CID 16807106
(2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol
CID 30930100
1-(2-propan-2-ylphenoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 3488317
(2R)-1-(4-benzhydrylpiperazin-1-yl)-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 93020853
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-(2-propan-2-ylphenoxy)propan-2-ol
CID 110898165
(2S)-1-[2-(3-methoxyphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7165456
1-[2-(4-tert-butylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 16807101
(2R)-1-[2-(3,4-dimethylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol
CID 7424688
1-[2-(4-ethylphenoxy)ethoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 16807098
cyclopropyl-[4-[(2S)-2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]piperazin-1-yl]methanone
CID 2535934
(2R)-1-(4-methylpiperazin-1-yl)-3-[(2R)-2-phenylpropoxy]propan-2-ol
CID 7393596
1-(2-propan-2-ylphenoxy)-3-(4-pyrrolidin-1-ylpiperidin-1-yl)propan-2-ol
CID 110898544

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol?
The IUPAC name of (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol (CID 7165470) is (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol?
The canonical SMILES for (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol is CC(C)c1ccccc1OCCOC[C@@H](O)CN1CCN(C)CC1.
What is the InChIKey of (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol?
The InChIKey is JWIZLHCXFLPNAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H32N2O3/c1-16(2)18-6-4-5-7-19(18)24-13-12-23-15-17(22)14-21-10-8-20(3)9-11-21/h4-7,16-17,22H,8-15H2,1-3H3/t17-/m0/s1.
What are the key properties of (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol?
(2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol has a molecular weight of 336.48 g/mol, XLogP of 1.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-methylpiperazin-1-yl)-3-[2-(2-propan-2-ylphenoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 7165470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).