1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol

C13H29N3O — CID 114249464

IUPAC1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)CN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C13H29N3O/c1-11(2)12(17)9-15-5-7-16(8-6-15)13(3,4)10-14/h11-12,17H,5-10,14H2,1-4H3
InChIKeyIUZCRIRAOWQHKS-UHFFFAOYSA-N
MW243.39 g/mol
LogP0.36
Rot. Bonds5

About 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol

1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol (PubChem CID 114249464) has the molecular formula C13H29N3O and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol.

Molecular Properties

Compound Name1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol
PubChem CID114249464
Molecular FormulaC13H29N3O
Molecular Weight243.39 g/mol
Exact Mass243.23
IUPAC Name1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol
SMILESCC(C)C(O)CN1CCN(C(C)(C)CN)CC1
InChIInChI=1S/C13H29N3O/c1-11(2)12(17)9-15-5-7-16(8-6-15)13(3,4)10-14/h11-12,17H,5-10,14H2,1-4H3
InChIKeyIUZCRIRAOWQHKS-UHFFFAOYSA-N
XLogP0.36
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[4-(2-methylpentyl)piperazin-1-yl]propan-1-amine
CID 55201599
2-(4-ethylpiperazin-1-yl)-2-methylpropan-1-amine
CID 9161367
2-methyl-2-(4-propan-2-ylpiperazin-1-yl)propan-1-amine
CID 43585088
2-[4-(1-amino-2-methylpropan-2-yl)-1,4-diazepan-1-yl]ethanol
CID 107214071
2-methyl-2-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]propan-1-amine
CID 63344155
(2R)-1-(4-tert-butylpiperazin-1-yl)-3,3-dimethylbutan-2-ol
CID 146548382
2-methyl-2-(4-nonylpiperazin-1-yl)propan-1-amine
CID 63343718
2-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-1-(azepan-1-yl)ethanone
CID 63343509
(2S)-1-(4-tert-butylpiperazin-1-yl)propan-2-amine
CID 94197824
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
3-(4-tert-butylpiperazin-1-yl)-2-methylpropanimidamide
CID 61432783

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol?
The IUPAC name of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol (CID 114249464) is 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol.
What is the SMILES notation for 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol?
The canonical SMILES for 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol is CC(C)C(O)CN1CCN(C(C)(C)CN)CC1.
What is the InChIKey of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol?
The InChIKey is IUZCRIRAOWQHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O/c1-11(2)12(17)9-15-5-7-16(8-6-15)13(3,4)10-14/h11-12,17H,5-10,14H2,1-4H3.
What are the key properties of 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol?
1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol has a molecular weight of 243.39 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-3-methylbutan-2-ol is sourced from PubChem (CID 114249464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).