1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine

C17H35N3 — CID 146520434

IUPAC1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCC2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)19-12-10-18(11-13-19)8-6-16-7-9-20(14-16)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyWILDEUHOBCFVIW-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.52
Rot. Bonds4

About 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine

1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine (PubChem CID 146520434) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
PubChem CID146520434
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(CCC2CCN(C(C)(C)C)C2)CC1
InChIInChI=1S/C17H35N3/c1-15(2)19-12-10-18(11-13-19)8-6-16-7-9-20(14-16)17(3,4)5/h15-16H,6-14H2,1-5H3
InChIKeyWILDEUHOBCFVIW-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-tert-butylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 139475378
1-(2-piperidin-4-ylethyl)-4-propan-2-ylpiperazine
CID 43585327
4-ethyl-1-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]piperidine
CID 158397131
1-tert-butyl-4-[3-(1-tert-butylpiperidin-4-yl)propyl]piperazine
CID 166875797
1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155184379
(3aR,6aS)-5-tert-butyl-2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155702594
2-tert-butyl-7-propan-2-yl-1,3,4,4a,5,6,8,8a-octahydro-2,7-naphthyridine
CID 156551467
ethane;1-methyl-4-[3-(1-propan-2-ylpiperidin-4-yl)propyl]piperazine
CID 155702616
2-methyl-4-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-propylpiperazine
CID 166466780
4-propan-2-yl-9-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1-oxa-4,9-diazacycloundecane
CID 155184385
1-tert-butyl-4-[2-(1-butylazetidin-3-yl)ethyl]piperazine
CID 155215089
4-[(1-tert-butylpyrrolidin-3-yl)methyl]-1-methylpiperidine
CID 159520791

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine (CID 146520434) is 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(CCC2CCN(C(C)(C)C)C2)CC1.
What is the InChIKey of 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine?
The InChIKey is WILDEUHOBCFVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-15(2)19-12-10-18(11-13-19)8-6-16-7-9-20(14-16)17(3,4)5/h15-16H,6-14H2,1-5H3.
What are the key properties of 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine?
1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine has a molecular weight of 281.49 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-tert-butylpyrrolidin-3-yl)ethyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 146520434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).