1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine

C14H29N3 — CID 58904691

IUPAC1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
SMILESCC(C)N1CCN(C2CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyXQIHHAQJBDEVHF-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.50
Rot. Bonds3

About 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine

1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine (PubChem CID 58904691) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
PubChem CID58904691
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
SMILESCC(C)N1CCN(C2CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H29N3/c1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyXQIHHAQJBDEVHF-UHFFFAOYSA-N
XLogP1.50
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609
ethane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 145315776
ethane;methane;2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 160550613
1-cyclopropyl-4-propan-2-ylpiperazine
CID 59855791
(1-propan-2-ylpiperidin-4-yl)-[4-(1-propan-2-ylpyrrolidin-3-yl)piperazin-1-yl]methanone
CID 177124210
1-cyclopropyl-4-propan-2-ylpiperazine;ethane
CID 169164545
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
4-(azetidin-1-yl)-1-propan-2-ylpiperidine
CID 21054794
formic acid;4-(1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 169177347
1-(1-cyclohexylazetidin-3-yl)-4-propan-2-ylpiperazine
CID 126892268

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?
The IUPAC name of 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine (CID 58904691) is 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine.
What is the SMILES notation for 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?
The canonical SMILES for 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine is CC(C)N1CCN(C2CCN(C(C)C)C2)CC1.
What is the InChIKey of 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?
The InChIKey is XQIHHAQJBDEVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-12(2)15-7-9-16(10-8-15)14-5-6-17(11-14)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine?
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine is sourced from PubChem (CID 58904691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).