3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol

C14H31N3O — CID 64826782

IUPAC3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-6-15-14(5,12-18)11-16-7-9-17(10-8-16)13(2,3)4/h15,18H,6-12H2,1-5H3
InChIKeyLNONFORSAREQAB-UHFFFAOYSA-N
MW257.42 g/mol
LogP0.76
Rot. Bonds5

About 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol

3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol (PubChem CID 64826782) has the molecular formula C14H31N3O and a molecular weight of 257.42 g/mol. Its IUPAC name is 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol
PubChem CID64826782
Molecular FormulaC14H31N3O
Molecular Weight257.42 g/mol
Exact Mass257.25
IUPAC Name3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol
SMILESCCNC(C)(CO)CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C14H31N3O/c1-6-15-14(5,12-18)11-16-7-9-17(10-8-16)13(2,3)4/h15,18H,6-12H2,1-5H3
InChIKeyLNONFORSAREQAB-UHFFFAOYSA-N
XLogP0.76
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Related Compounds

2-(ethylamino)-2-methyl-3-(4-methylazepan-1-yl)propan-1-ol
CID 64788999
2-(ethylamino)-3-[4-(methoxymethyl)piperidin-1-yl]-2-methylpropan-1-ol
CID 64791191
2-(ethylamino)-3-(3-ethyl-4-methylpiperazin-1-yl)-2-methylpropan-1-ol
CID 64787073
3-(1,1-dioxo-1,4-thiazepan-4-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 114083818
3-(2,6-dimethylmorpholin-4-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64795630
2-methyl-2-(propylamino)-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-ol
CID 64792291
2-(ethylamino)-2-methyl-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-ol
CID 64792181
2-(ethylamino)-2-methyl-3-(2-methylmorpholin-4-yl)propan-1-ol
CID 64798661
3-(azepan-1-yl)-2-methyl-2-(propylamino)propan-1-ol
CID 64795636
4-(4-tert-butylpiperazin-1-yl)-2-methyl-2-(methylamino)butan-1-ol
CID 64827179
3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(ethylamino)-2-methylpropan-1-ol
CID 64789691
N-ethyl-1-(4-ethylpiperazin-1-yl)-2-methylpropan-2-amine
CID 62834273

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol (CID 64826782) is 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol is CCNC(C)(CO)CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol?
The InChIKey is LNONFORSAREQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3O/c1-6-15-14(5,12-18)11-16-7-9-17(10-8-16)13(2,3)4/h15,18H,6-12H2,1-5H3.
What are the key properties of 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol?
3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol has a molecular weight of 257.42 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylpiperazin-1-yl)-2-(ethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 64826782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).