1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol

C14H31N3O — CID 61429736

IUPAC1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-5-6-15-11-13(18)12-16-7-9-17(10-8-16)14(2,3)4/h13,15,18H,5-12H2,1-4H3
InChIKeyQJWZCEJTSWMSRA-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds6

About 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol

1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol (PubChem CID 61429736) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
PubChem CID61429736
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol
SMILESCCCNCC(O)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-5-6-15-11-13(18)12-16-7-9-17(10-8-16)14(2,3)4/h13,15,18H,5-12H2,1-4H3
InChIKeyQJWZCEJTSWMSRA-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-tert-butylpiperazin-1-yl)-3-(ethylamino)propan-2-ol
CID 61429689
1-(4-ethylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 43165810
1-(4-cyclopentylpiperazin-1-yl)-3-(propylamino)propan-2-ol
CID 55063736
1-(4-tert-butylpiperazin-1-yl)-3-chloropropan-2-ol
CID 112561370
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
1-(2-methoxyethylamino)-3-(4-propylpiperazin-1-yl)propan-2-ol
CID 113317417
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-3-(propylamino)propan-2-ol
CID 43620319
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
1-(2-ethyl-1,4-oxazepan-4-yl)-3-(propylamino)propan-2-ol
CID 114218337
2-[(4-tert-butylpiperazin-1-yl)methyl]propane-1,3-diol
CID 138743279
1-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-3-(propylamino)propan-2-ol
CID 81464324

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The IUPAC name of 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol (CID 61429736) is 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol.
What is the SMILES notation for 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The canonical SMILES for 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol is CCCNCC(O)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
The InChIKey is QJWZCEJTSWMSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-5-6-15-11-13(18)12-16-7-9-17(10-8-16)14(2,3)4/h13,15,18H,5-12H2,1-4H3.
What are the key properties of 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol?
1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylpiperazin-1-yl)-3-(propylamino)propan-2-ol is sourced from PubChem (CID 61429736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).