1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

C18H30N2O3 — CID 3809225

IUPAC1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCCOc1ccc(N2CCN(CC(O)COC(C)C)CC2)cc1
InChIInChI=1S/C18H30N2O3/c1-4-22-18-7-5-16(6-8-18)20-11-9-19(10-12-20)13-17(21)14-23-15(2)3/h5-8,15,17,21H,4,9-14H2,1-3H3
InChIKeyRUWXPBUOWKBPKA-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.99
Rot. Bonds8

About 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol

1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (PubChem CID 3809225) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
PubChem CID3809225
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Name1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
SMILESCCOc1ccc(N2CCN(CC(O)COC(C)C)CC2)cc1
InChIInChI=1S/C18H30N2O3/c1-4-22-18-7-5-16(6-8-18)20-11-9-19(10-12-20)13-17(21)14-23-15(2)3/h5-8,15,17,21H,4,9-14H2,1-3H3
InChIKeyRUWXPBUOWKBPKA-UHFFFAOYSA-N
XLogP1.99
TPSA45.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[3-[4-(4-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 19133200
4-[(2S)-3-[4-(4-ethylphenyl)piperazin-1-yl]-2-hydroxypropoxy]phenol
CID 70254082
1-(4-ethoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 51160406
(2S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol
CID 8669631
(2R)-1-(4-ethylphenoxy)-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 722988
1-(7-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-propan-2-yloxypropan-2-ol
CID 110909734
(1R)-1-(4-ethoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanol
CID 95104653
(2S)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 2062296
(2R)-1-phenoxy-3-(4-phenylpiperazin-1-yl)propan-2-ol
CID 735579
1-propan-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3863720
1-[4-(2-chlorophenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol
CID 60635306
(2R)-1-butoxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 30844662

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol (CID 3809225) is 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is CCOc1ccc(N2CCN(CC(O)COC(C)C)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
The InChIKey is RUWXPBUOWKBPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3/c1-4-22-18-7-5-16(6-8-18)20-11-9-19(10-12-20)13-17(21)14-23-15(2)3/h5-8,15,17,21H,4,9-14H2,1-3H3.
What are the key properties of 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol?
1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol has a molecular weight of 322.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxyphenyl)piperazin-1-yl]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 3809225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).