1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol

C15H31N3O2 — CID 115475228

IUPAC1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3O2/c1-20-11-6-16-12-15(19)13-17-7-9-18(10-8-17)14-4-2-3-5-14/h14-16,19H,2-13H2,1H3
InChIKeyVCENKKKIXHMPLF-UHFFFAOYSA-N
MW285.43 g/mol
LogP0.14
Rot. Bonds8

About 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol

1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol (PubChem CID 115475228) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
PubChem CID115475228
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
SMILESCOCCNCC(O)CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C15H31N3O2/c1-20-11-6-16-12-15(19)13-17-7-9-18(10-8-17)14-4-2-3-5-14/h14-16,19H,2-13H2,1H3
InChIKeyVCENKKKIXHMPLF-UHFFFAOYSA-N
XLogP0.14
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 50.14
H-Bond Donors ≤ 52
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-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 55063736
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-(3,4-dimethylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475430
1-(2-methoxyethylamino)-3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-2-ol
CID 115475490
1-(2-cyclopentylpyrrolidin-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 115475177
1-(2-ethylazepan-1-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113441633
1-(2-methoxyethylamino)-3-(3-phenylpyrrolidin-1-yl)propan-2-ol
CID 115475222
1-(2,6-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 78971493
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-(2-methoxyethoxy)propan-2-ol
CID 106992152
1-(2,2-dimethylmorpholin-4-yl)-3-(2-methoxyethylamino)propan-2-ol
CID 113317455
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
1-(4-cyclopentylpiperazin-1-yl)-3-methoxy-N-propylpropan-2-amine
CID 107505660

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol (CID 115475228) is 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol is COCCNCC(O)CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
The InChIKey is VCENKKKIXHMPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-20-11-6-16-12-15(19)13-17-7-9-18(10-8-17)14-4-2-3-5-14/h14-16,19H,2-13H2,1H3.
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol?
1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol has a molecular weight of 285.43 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-3-(2-methoxyethylamino)propan-2-ol is sourced from PubChem (CID 115475228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).