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

C16H33N3 — CID 155459870

IUPAC1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
SMILESCC(C)CN1CCN(C2CCN(CC(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)11-17-7-9-19(10-8-17)16-5-6-18(13-16)12-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyDMSUDOGBWPJXPG-UHFFFAOYSA-N
MW267.46 g/mol
LogP1.99
Rot. Bonds5

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

1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine (PubChem CID 155459870) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
PubChem CID155459870
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
SMILESCC(C)CN1CCN(C2CCN(CC(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-14(2)11-17-7-9-19(10-8-17)16-5-6-18(13-16)12-15(3)4/h14-16H,5-13H2,1-4H3
InChIKeyDMSUDOGBWPJXPG-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3R)-1-(3-methylbutan-2-yl)pyrrolidin-3-yl]-4-(2-methylpropyl)piperazine
CID 170062286
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
CID 156885108
1-(2-methylpropyl)-4-(1-methylsulfonylpyrrolidin-3-yl)piperazine
CID 171565498
(2S)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-2-amine
CID 103934640
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
(1S)-1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
CID 95111576
(2S)-1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)propan-2-ol
CID 103935255
(2S)-1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propan-2-amine
CID 103934754
[3-[4-(2-methylpropyl)piperazin-1-yl]cyclohexyl]methanamine
CID 165456465
1-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-4-(3-propan-2-ylcyclobutyl)piperazine
CID 171598401
2-(2,3,3-trimethylbutyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 83147460
1-(3-morpholin-4-ylpyrrolidin-1-yl)propan-2-ol
CID 63171130

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine (CID 155459870) is 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine is CC(C)CN1CCN(C2CCN(CC(C)C)C2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine?
The InChIKey is DMSUDOGBWPJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-14(2)11-17-7-9-19(10-8-17)16-5-6-18(13-16)12-15(3)4/h14-16H,5-13H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine?
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine has a molecular weight of 267.46 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 155459870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).