1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine

C14H27N3 — CID 97028838

IUPAC1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine
SMILESC=C(C)CN1CC[C@H](N2CCN(CC)CC2)C1
InChIInChI=1S/C14H27N3/c1-4-15-7-9-17(10-8-15)14-5-6-16(12-14)11-13(2)3/h14H,2,4-12H2,1,3H3/t14-/m0/s1
InChIKeyRPAGJRVOJHHOIR-AWEZNQCLSA-N
MW237.39 g/mol
LogP1.27
Rot. Bonds4

About 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine

1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine (PubChem CID 97028838) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine
PubChem CID97028838
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine
SMILESC=C(C)CN1CC[C@H](N2CCN(CC)CC2)C1
InChIInChI=1S/C14H27N3/c1-4-15-7-9-17(10-8-15)14-5-6-16(12-14)11-13(2)3/h14H,2,4-12H2,1,3H3/t14-/m0/s1
InChIKeyRPAGJRVOJHHOIR-AWEZNQCLSA-N
XLogP1.27
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylprop-2-enyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 115674890
2-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 97028839
1-(1-ethylpyrrolidin-3-yl)piperidin-4-amine
CID 80552786
1-[1-[[(1S)-3-methylcyclopentyl]methyl]piperidin-4-yl]-4-(2-methylprop-2-enyl)piperazine
CID 170002134
N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
CID 115300548
1-ethyl-4-(3-methylazetidin-1-yl)piperidine
CID 174247988
1-(1-ethylpiperidin-4-yl)piperidin-4-amine;hydrochloride
CID 68573290
3-[3-(4-ethylpiperazin-1-yl)piperidin-1-yl]propanoic acid
CID 84755522
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289
1-(2-methylpropyl)-4-[1-(2-methylpropyl)pyrrolidin-3-yl]piperazine
CID 155459870
[1-(1-ethylpyrrolidin-3-yl)pyrrolidin-3-yl]methanol
CID 117005885

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine?
The IUPAC name of 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine (CID 97028838) is 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine is C=C(C)CN1CC[C@H](N2CCN(CC)CC2)C1.
What is the InChIKey of 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine?
The InChIKey is RPAGJRVOJHHOIR-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-15-7-9-17(10-8-15)14-5-6-16(12-14)11-13(2)3/h14H,2,4-12H2,1,3H3/t14-/m0/s1.
What are the key properties of 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine?
1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine has a molecular weight of 237.39 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(3S)-1-(2-methylprop-2-enyl)pyrrolidin-3-yl]piperazine is sourced from PubChem (CID 97028838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).