1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine

C14H29N3 — CID 170266000

IUPAC1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
SMILESCCN1CCN(CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H29N3/c1-4-15-7-9-16(10-8-15)11-14-5-6-17(12-14)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyRWRLEGCAXRJTOG-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.35
Rot. Bonds4

About 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine

1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine (PubChem CID 170266000) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
PubChem CID170266000
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
SMILESCCN1CCN(CC2CCN(C(C)C)C2)CC1
InChIInChI=1S/C14H29N3/c1-4-15-7-9-16(10-8-15)11-14-5-6-17(12-14)13(2)3/h13-14H,4-12H2,1-3H3
InChIKeyRWRLEGCAXRJTOG-UHFFFAOYSA-N
XLogP1.35
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine
CID 171094387
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
2-(4-ethylpiperazin-1-yl)-N-methyl-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 131926271
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
6-[(4-ethylpiperazin-1-yl)methyl]-3-propan-2-yl-3-azabicyclo[3.1.0]hexane
CID 171564760
8-[(1-ethylpiperidin-4-yl)methyl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane
CID 166461736

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine (CID 170266000) is 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine is CCN1CCN(CC2CCN(C(C)C)C2)CC1.
What is the InChIKey of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
The InChIKey is RWRLEGCAXRJTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-4-15-7-9-16(10-8-15)11-14-5-6-17(12-14)13(2)3/h13-14H,4-12H2,1-3H3.
What are the key properties of 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine?
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine has a molecular weight of 239.41 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine is sourced from PubChem (CID 170266000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).