3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol

C15H31N3O — CID 64788398

IUPAC3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCCC(C)N1CCN(CC(C)(CO)NC2CC2)CC1
InChIInChI=1S/C15H31N3O/c1-4-13(2)18-9-7-17(8-10-18)11-15(3,12-19)16-14-5-6-14/h13-14,16,19H,4-12H2,1-3H3
InChIKeyULHCZAYQRLMHNF-UHFFFAOYSA-N
MW269.43 g/mol
LogP0.91
Rot. Bonds7

About 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol

3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol (PubChem CID 64788398) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
PubChem CID64788398
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol
SMILESCCC(C)N1CCN(CC(C)(CO)NC2CC2)CC1
InChIInChI=1S/C15H31N3O/c1-4-13(2)18-9-7-17(8-10-18)11-15(3,12-19)16-14-5-6-14/h13-14,16,19H,4-12H2,1-3H3
InChIKeyULHCZAYQRLMHNF-UHFFFAOYSA-N
XLogP0.91
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-butan-2-ylpiperazin-1-yl)-2-methyl-2-(methylamino)propan-1-ol
CID 64788397
2-(cyclopropylamino)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 64795608
2-(cyclopropylamino)-3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methylpropan-1-ol
CID 64827441
1-butan-2-yl-4-(2,2-dimethylpropyl)piperazine
CID 122645241
1-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropylpropan-2-amine
CID 62775737
2-(cyclopropylamino)-2-methyl-3-(3-methylpyrrolidin-1-yl)propan-1-ol
CID 64828276
2-(cyclopropylamino)-3-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-methylpropan-1-ol
CID 64828333
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N-tert-butyl-2-methylbutan-1-amine
CID 62774634
2-(cyclopropylamino)-3-(3,3-dimethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64791823
3-(4-butan-2-ylpiperazin-1-yl)-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63913794
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-N,2-dimethylpentan-1-amine
CID 62773673
2-(cyclopropylamino)-3-(2-ethylpiperidin-1-yl)-2-methylpropan-1-ol
CID 64796361

Frequently Asked Questions

What is the IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol (CID 64788398) is 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol is CCC(C)N1CCN(CC(C)(CO)NC2CC2)CC1.
What is the InChIKey of 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
The InChIKey is ULHCZAYQRLMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-13(2)18-9-7-17(8-10-18)11-15(3,12-19)16-14-5-6-14/h13-14,16,19H,4-12H2,1-3H3.
What are the key properties of 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol?
3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol has a molecular weight of 269.43 g/mol, XLogP of 0.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butan-2-ylpiperazin-1-yl)-2-(cyclopropylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 64788398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).