1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine

C17H35N3 — CID 170062286

IUPAC1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN([C@@H]2CCN(C(C)C(C)C)C2)CC1
InChIInChI=1S/C17H35N3/c1-14(2)12-18-8-10-19(11-9-18)17-6-7-20(13-17)16(5)15(3)4/h14-17H,6-13H2,1-5H3/t16?,17-/m1/s1
InChIKeyBXIGEHHXFXGDON-ZYMOGRSISA-N
MW281.49 g/mol
LogP2.38
Rot. Bonds5

About 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine

1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine (PubChem CID 170062286) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine.

Molecular Properties

Compound Name1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine
PubChem CID170062286
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine
SMILESCC(C)CN1CCN([C@@H]2CCN(C(C)C(C)C)C2)CC1
InChIInChI=1S/C17H35N3/c1-14(2)12-18-8-10-19(11-9-18)17-6-7-20(13-17)16(5)15(3)4/h14-17H,6-13H2,1-5H3/t16?,17-/m1/s1
InChIKeyBXIGEHHXFXGDON-ZYMOGRSISA-N
XLogP2.38
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
1-(2-methylpropyl)-4-(1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 171565498
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
CID 156885108
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
1-cyclopropyl-4-(3-methylbutan-2-yl)piperazine
CID 138669145
1-methyl-4-[(2R)-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propyl]-1,4-diazepane
CID 134502084
2-(3-ethylpentan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939262
3-amino-4-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentan-1-ol
CID 114357229
3-(3-piperidin-1-ylpyrrolidin-1-yl)butan-2-ol
CID 63171314
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-3-methylbutan-1-amine
CID 79935214

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine?
The IUPAC name of 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine (CID 170062286) is 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine.
What is the SMILES notation for 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine?
The canonical SMILES for 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine is CC(C)CN1CCN([C@@H]2CCN(C(C)C(C)C)C2)CC1.
What is the InChIKey of 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine?
The InChIKey is BXIGEHHXFXGDON-ZYMOGRSISA-N. The full InChI is InChI=1S/C17H35N3/c1-14(2)12-18-8-10-19(11-9-18)17-6-7-20(13-17)16(5)15(3)4/h14-17H,6-13H2,1-5H3/t16?,17-/m1/s1.
What are the key properties of 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine?
1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine has a molecular weight of 281.49 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine is sourced from PubChem (CID 170062286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).